data_1nxi_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 1nxi _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -73.69 -56.15 5.37 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.262 -0.899 . . . . 0.0 109.48 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.442 ' N ' HD21 ' A' ' 13' ' ' LEU . 4.1 mt -51.14 -43.6 61.23 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.217 -0.927 . . . . 0.0 109.43 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.2 mt -58.38 -47.03 89.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.285 -0.884 . . . . 0.0 109.38 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.74 -59.43 5.03 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.287 -0.883 . . . . 0.0 109.355 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.517 ' O ' ' C ' ' A' ' 17' ' ' GLN . 67.6 mt -45.92 -75.53 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.276 -0.89 . . . . 0.0 109.548 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.576 ' O ' ' OG1' ' A' ' 21' ' ' THR . 1.3 tp60 -35.93 -35.41 0.07 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.31 -0.869 . . . . 0.0 109.542 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 16' ' ' ILE . 1.0 OUTLIER -57.18 -58.68 7.16 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.172 -0.955 . . . . 0.0 109.563 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 20' ' ' GLU . 9.9 tt0 -65.32 -62.84 1.3 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.27 -0.894 . . . . 0.0 109.509 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.483 ' O ' ' C ' ' A' ' 21' ' ' THR . 12.1 mt-10 -40.05 -67.39 0.23 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.243 -0.911 . . . . 0.0 109.638 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.576 ' OG1' ' O ' ' A' ' 17' ' ' GLN . 10.0 m -38.31 -61.13 0.71 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.186 -0.946 . . . . 0.0 109.536 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' THR . 10.3 mmm180 -44.2 -52.89 7.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.249 -0.907 . . . . 0.0 109.42 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -49.73 -51.49 38.47 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.232 -0.918 . . . . 0.0 109.46 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.81 -57.25 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.282 -0.886 . . . . 0.0 109.446 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.1 mm -46.94 -40.22 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.265 -0.897 . . . . 0.0 109.37 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -57.62 -52.42 65.51 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.286 -0.883 . . . . 0.0 109.381 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.92 -55.07 37.37 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.237 -0.914 . . . . 0.0 109.352 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.48 -48.18 38.06 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.236 -0.915 . . . . 0.0 109.25 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.65 ' O ' ' N ' ' A' ' 32' ' ' GLY . 5.4 mt -62.39 -66.67 0.51 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.319 -0.863 . . . . 0.0 109.286 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.538 ' C ' ' O ' ' A' ' 29' ' ' LEU . 3.6 tt0 -36.19 -36.96 0.1 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.248 -0.908 . . . . 0.0 109.297 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' LEU . 10.0 t70 -58.42 -31.32 67.62 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.234 -0.916 . . . . 0.0 109.266 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.65 ' N ' ' O ' ' A' ' 29' ' ' LEU . . . 121.75 2.43 10.46 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.3 m -51.18 169.99 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.235 -1.156 . . . . 0.0 109.518 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -132.68 147.15 64.4 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.146 -0.971 . . . . 0.0 109.531 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -70.92 -15.88 32.71 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.714 2.276 . . . . 0.0 112.223 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.64 ' OD1' ' N ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -94.82 -7.01 41.56 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.234 -0.916 . . . . 0.0 109.362 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.563 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -69.9 -9.01 53.41 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.313 -0.867 . . . . 0.0 109.53 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.563 ' O ' ' O ' ' A' ' 37' ' ' ALA . 5.0 mt 56.75 125.33 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.256 -0.902 . . . . 0.0 109.266 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -117.79 147.92 42.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.244 -0.91 . . . . 0.0 109.827 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -98.95 109.32 22.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.338 -0.851 . . . . 0.0 109.128 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.469 HG22 ' CE1' ' A' ' 43' ' ' HIS . 4.1 mm -76.45 145.81 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.213 -0.929 . . . . 0.0 109.679 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -126.28 139.23 53.48 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.339 -0.851 . . . . 0.0 109.45 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.469 ' CE1' HG22 ' A' ' 41' ' ' ILE . 10.0 m-70 -135.24 132.66 38.12 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.261 -0.899 . . . . 0.0 109.411 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -101.35 131.3 47.48 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.155 -0.966 . . . . 0.0 109.57 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 mp -137.41 132.73 33.89 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.229 -0.919 . . . . 0.0 109.183 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.698 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -127.36 160.07 32.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.142 -0.974 . . . . 0.0 109.891 -179.776 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.83 177.22 8.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.408 -0.807 . . . . 0.0 109.589 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -113.61 -14.43 12.64 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.246 -0.909 . . . . 0.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.74 119.64 40.01 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.224 -0.922 . . . . 0.0 109.325 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.417 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -52.57 -41.77 63.88 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.209 -0.932 . . . . 0.0 109.446 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.452 ' C ' ' OD1' ' A' ' 51' ' ' ASP . 27.8 t0 -71.12 -60.78 2.05 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.276 -0.89 . . . . 0.0 109.494 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.95 -32.76 2.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.179 -0.95 . . . . 0.0 109.094 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.441 ' HG ' ' CE1' ' A' ' 84' ' ' PHE . 6.1 tt -63.98 -67.33 0.44 Allowed 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.469 -0.769 . . . . 0.0 109.382 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -51.37 -23.04 3.35 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.238 -0.914 . . . . 0.0 109.26 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.0 -60.06 2.44 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.301 -0.874 . . . . 0.0 109.341 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.08 -32.91 74.64 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.265 -0.897 . . . . 0.0 109.463 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.45 -33.92 76.12 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.316 -0.865 . . . . 0.0 109.459 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -68.66 -52.86 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.215 -0.928 . . . . 0.0 109.271 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -52.62 -56.08 17.92 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.161 -0.962 . . . . 0.0 109.322 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.03 -59.13 3.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.232 -0.917 . . . . 0.0 109.474 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.65 -26.3 55.82 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.269 -0.894 . . . . 0.0 109.626 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -67.46 -40.11 85.35 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.221 -0.924 . . . . 0.0 109.386 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 9.3 mtm -66.27 -56.18 12.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.227 -0.921 . . . . 0.0 109.405 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 158.32 49.36 0.01 OUTLIER Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.497 ' CZ ' ' SD ' ' A' ' 88' ' ' MET . 40.0 m-85 -123.96 132.36 53.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.201 -1.176 . . . . 0.0 109.523 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -72.39 78.22 1.02 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.22 -0.925 . . . . 0.0 109.481 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.7 p -57.61 140.07 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.262 -0.899 . . . . 0.0 109.485 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.607 ' N ' ' O ' ' A' ' 85' ' ' ASP . 1.8 tp -115.27 141.19 48.36 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.264 -0.898 . . . . 0.0 109.552 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -52.63 150.69 4.88 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.245 -0.91 . . . . 0.0 109.472 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -96.5 179.92 4.84 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.31 -0.869 . . . . 0.0 109.599 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.538 ' O ' ' C ' ' A' ' 72' ' ' GLU . 8.2 tt0 -158.43 146.66 18.51 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.338 -0.851 . . . . 0.0 109.268 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.614 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -35.41 117.95 0.44 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.256 -0.903 . . . . 0.0 109.421 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.258 -0.901 . . . . 0.0 109.77 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.81 163.97 21.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.246 -0.908 . . . . 0.0 109.65 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.5 mp -95.15 132.0 40.56 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.352 -0.843 . . . . 0.0 109.532 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 37.0 t -134.06 108.32 8.27 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.245 -0.909 . . . . 0.0 110.084 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.63 ' N ' ' CD1' ' A' ' 84' ' ' PHE . 0.7 OUTLIER -98.64 166.46 11.32 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.217 -0.927 . . . . 0.0 109.009 179.375 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.607 ' O ' ' N ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -125.57 153.89 43.01 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.153 -0.967 . . . . 0.0 109.924 -179.495 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -127.58 141.2 51.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.403 -0.811 . . . . 0.0 109.299 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.38 160.34 28.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.247 -0.908 . . . . 0.0 109.494 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.505 ' SD ' ' NE2' ' A' ' 100' ' ' GLN . 8.1 ttt -158.48 119.57 3.41 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.318 -0.864 . . . . 0.0 109.517 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -74.02 129.02 37.04 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.259 -0.901 . . . . 0.0 109.348 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.439 ' HG ' ' CD2' ' A' ' 96' ' ' LEU . 4.6 p -166.59 156.48 11.62 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.254 -0.904 . . . . 0.0 109.709 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.76 174.78 0.74 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.304 -0.872 . . . . 0.0 109.409 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.0 tp -92.88 100.29 12.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.291 -0.88 . . . . 0.0 109.298 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -145.49 137.47 25.48 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.184 -0.948 . . . . 0.0 109.528 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.454 ' O ' ' CG ' ' A' ' 98' ' ' ASP . . . -68.44 -39.0 81.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.213 -0.929 . . . . 0.0 109.294 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -61.36 -47.69 84.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.232 -0.917 . . . . 0.0 109.232 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.439 ' CD2' ' HG ' ' A' ' 90' ' ' SER . 5.0 tt -64.03 -61.69 2.11 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.289 -0.882 . . . . 0.0 109.218 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.411 HG21 ' CZ3' ' A' ' 118' ' ' TRP . 38.6 mt -46.03 -40.98 3.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.265 -0.897 . . . . 0.0 109.197 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.454 ' CG ' ' O ' ' A' ' 94' ' ' ALA . 45.0 m-20 -62.36 -34.74 77.27 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.294 -0.879 . . . . 0.0 109.234 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 96' ' ' LEU . 3.6 mm-40 -66.9 -52.98 36.68 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.293 -0.88 . . . . 0.0 109.519 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.505 ' NE2' ' SD ' ' A' ' 88' ' ' MET . 91.2 mt-30 -50.32 -36.3 31.32 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.156 -0.965 . . . . 0.0 109.292 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 55.6 t -72.7 -33.2 43.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.29 -0.881 . . . . 0.0 109.472 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.457 ' O ' ' OD1' ' A' ' 106' ' ' ASN . 0.7 OUTLIER -68.93 -41.91 77.48 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.246 -0.909 . . . . 0.0 109.521 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.8 mttp -70.91 -47.84 56.92 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.149 -0.969 . . . . 0.0 109.627 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.4 mt -63.81 -34.34 77.69 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.211 -0.931 . . . . 0.0 109.568 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.451 HG22 ' CD2' ' A' ' 115' ' ' TYR . 4.9 t -70.58 -56.78 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.166 -0.959 . . . . 0.0 109.544 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.457 ' OD1' ' O ' ' A' ' 102' ' ' GLU . 2.0 m120 -55.04 -42.84 73.16 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.19 -0.943 . . . . 0.0 109.42 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.1 tt -66.76 -40.95 88.43 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.255 -0.903 . . . . 0.0 109.398 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.64 -54.96 41.19 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.251 -0.906 . . . . 0.0 109.578 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -65.78 -21.48 66.5 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.294 -0.879 . . . . 0.0 109.457 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -72.86 -27.43 61.91 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.27 -0.894 . . . . 0.0 109.627 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.508 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 8.3 m-85 -98.46 -76.97 0.52 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.217 -0.927 . . . . 0.0 109.651 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.508 ' OD1' ' O ' ' A' ' 111' ' ' PHE . 0.4 OUTLIER 166.08 33.43 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.105 -0.997 . . . . 0.0 109.634 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.5 pt -116.88 178.05 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.219 -0.926 . . . . 0.0 109.538 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.47 110.05 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.224 -0.922 . . . . 0.0 109.478 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.463 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 1.1 t80 -89.98 117.12 28.54 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.246 -0.909 . . . . 0.0 109.257 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -158.86 73.62 0.62 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.178 -0.951 . . . . 0.0 109.661 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 171.58 95.49 0.1 OUTLIER Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.641 -1.383 . . . . 0.0 109.641 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.433 ' O ' ' CG ' ' A' ' 118' ' ' TRP . 1.2 p-90 -124.37 133.68 53.36 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.173 -1.192 . . . . 0.0 109.294 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -144.65 157.78 27.35 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.2 t -128.64 128.13 43.56 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.199 -1.177 . . . . 0.0 109.543 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.242 -0.911 . . . . 0.0 109.472 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -70.0 -40.42 75.28 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.294 -0.879 . . . . 0.0 109.532 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.431 ' H ' ' HG ' ' A' ' 13' ' ' LEU . 13.9 mt -67.18 -43.22 82.73 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.253 -0.905 . . . . 0.0 109.71 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 15' ' ' GLU . 8.0 mt -62.76 -59.07 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.268 -0.895 . . . . 0.0 109.721 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 14' ' ' ILE . 4.1 tt0 -42.96 -57.96 2.62 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.253 -0.904 . . . . 0.0 109.611 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.8 mt -48.49 -47.03 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.191 -0.943 . . . . 0.0 109.593 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.512 ' O ' ' C ' ' A' ' 18' ' ' LYS . 3.3 mm100 -53.91 -65.74 0.52 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.208 -0.933 . . . . 0.0 109.532 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.512 ' C ' ' O ' ' A' ' 17' ' ' GLN . 31.3 mttt -35.16 -42.95 0.2 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.292 -0.88 . . . . 0.0 109.662 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.526 ' O ' ' C ' ' A' ' 20' ' ' GLU . 1.9 tt0 -72.54 -66.62 0.64 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.225 -0.922 . . . . 0.0 109.727 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.526 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -35.09 -46.8 0.35 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.254 -0.904 . . . . 0.0 109.608 -179.778 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.465 ' O ' ' C ' ' A' ' 22' ' ' ARG . 48.9 m -60.53 -58.92 6.44 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.236 -0.915 . . . . 0.0 109.235 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.726 ' CG ' HH11 ' A' ' 22' ' ' ARG . 0.0 OUTLIER -39.38 -52.22 2.06 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.253 -0.904 . . . . 0.0 109.506 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -57.23 -40.75 78.18 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.323 -0.861 . . . . 0.0 109.704 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 26' ' ' GLN . 68.1 mt -70.21 -66.69 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.242 -0.911 . . . . 0.0 109.669 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.447 ' H ' HD12 ' A' ' 25' ' ' ILE . 1.2 mp -45.16 -22.95 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.112 -0.992 . . . . 0.0 109.264 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' ILE . 5.0 mm-40 -71.75 -56.51 5.64 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.25 -0.906 . . . . 0.0 109.479 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.0 -41.1 77.83 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.245 -0.909 . . . . 0.0 109.615 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.5 mt -60.24 -49.34 77.99 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.222 -0.924 . . . . 0.0 109.447 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -60.64 -37.99 83.35 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.226 -0.921 . . . . 0.0 109.39 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -60.52 -31.84 70.9 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.241 -0.912 . . . . 0.0 109.269 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -76.6 -37.64 56.12 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.259 -0.9 . . . . 0.0 109.482 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.56 ' O ' ' O ' ' A' ' 33' ' ' SER . . . 126.41 17.5 2.39 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.56 ' O ' ' O ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -34.51 156.73 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.22 -1.165 . . . . 0.0 109.596 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -125.37 86.69 56.74 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.183 -0.948 . . . . 0.0 109.593 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -52.67 -27.1 32.07 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.85 2.367 . . . . 0.0 112.286 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -65.37 -22.46 66.8 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.227 -0.92 . . . . 0.0 109.511 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.556 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -88.07 18.2 4.45 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.223 -0.923 . . . . 0.0 109.616 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.556 ' O ' ' O ' ' A' ' 37' ' ' ALA . 0.6 OUTLIER 56.25 150.85 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.135 -0.978 . . . . 0.0 109.473 179.846 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -128.37 152.69 47.88 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.331 -0.856 . . . . 0.0 109.326 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -107.59 146.72 31.55 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.225 -0.922 . . . . 0.0 109.603 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.0 mm -122.43 145.38 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.309 -0.869 . . . . 0.0 109.203 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -120.3 111.3 17.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.169 -0.957 . . . . 0.0 109.606 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -100.21 142.33 31.84 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.204 -0.935 . . . . 0.0 109.461 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.431 ' CD2' ' N ' ' A' ' 44' ' ' HIS . 1.0 OUTLIER -121.45 124.59 44.83 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.258 -0.901 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 2.7 mp -131.01 148.12 52.71 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.224 -0.922 . . . . 0.0 109.484 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -132.9 155.83 48.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.24 -0.913 . . . . 0.0 109.745 -179.839 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.04 179.3 5.96 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.329 -0.857 . . . . 0.0 109.483 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -116.9 -21.09 9.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.263 -0.898 . . . . 0.0 109.276 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.643 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.4 t0 -127.01 109.89 12.38 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.352 -0.842 . . . . 0.0 109.228 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' A' ' 49' ' ' ASP . 17.9 t80 -41.15 -17.65 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.24 -0.913 . . . . 0.0 109.748 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.643 ' N ' ' O ' ' A' ' 49' ' ' ASP . 5.9 t70 -65.81 -77.5 0.06 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.169 -0.957 . . . . 0.0 109.636 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.461 ' HE2' ' H ' ' A' ' 49' ' ' ASP . 32.3 pttt -53.18 -32.61 48.79 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.195 -0.94 . . . . 0.0 109.393 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.45 ' CD2' ' C ' ' A' ' 53' ' ' LEU . 6.1 tt -51.48 -55.89 16.36 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.391 -0.818 . . . . 0.0 109.667 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 55' ' ' LYS . 18.2 tt0 -63.88 -53.03 56.87 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.211 -0.931 . . . . 0.0 109.547 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 54' ' ' GLU . 7.6 mtpp -44.48 -47.85 10.03 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.206 -0.934 . . . . 0.0 109.705 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.515 ' O ' ' C ' ' A' ' 57' ' ' ALA . . . -72.0 -61.07 1.92 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.153 -0.967 . . . . 0.0 109.607 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 56' ' ' ALA . . . -35.59 -52.35 0.67 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.36 -0.837 . . . . 0.0 109.571 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.6 t -59.01 -54.15 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.268 -0.895 . . . . 0.0 109.455 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -49.09 -41.29 35.05 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.239 -0.913 . . . . 0.0 109.351 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.3 -35.64 76.2 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.244 -0.91 . . . . 0.0 109.234 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -61.79 -52.29 64.81 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.287 -0.883 . . . . 0.0 109.298 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -55.59 -39.18 70.38 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.24 -0.912 . . . . 0.0 109.236 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 31.2 ttm -51.96 -57.63 8.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.265 -0.897 . . . . 0.0 109.385 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.656 ' O ' ' SD ' ' A' ' 88' ' ' MET . . . 149.6 31.9 0.05 OUTLIER Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.691 ' CD1' ' SD ' ' A' ' 88' ' ' MET . 10.2 m-85 -117.38 137.78 52.24 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.214 -1.168 . . . . 0.0 109.466 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.447 ' OE1' ' O ' ' A' ' 67' ' ' VAL . 1.3 tm-20 -82.08 84.01 7.14 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.178 -0.951 . . . . 0.0 109.362 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.447 ' O ' ' OE1' ' A' ' 66' ' ' GLU . 14.7 p -54.67 164.81 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.238 -0.914 . . . . 0.0 109.528 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.605 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -144.19 132.59 22.03 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.299 -0.875 . . . . 0.0 109.363 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.569 ' O ' ' O ' ' A' ' 68' ' ' LEU . 4.6 pt-20 -39.02 165.33 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.297 -0.877 . . . . 0.0 109.767 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.458 ' HB3' ' N ' ' A' ' 83' ' ' CYS . . . -116.71 158.94 23.01 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.362 -0.836 . . . . 0.0 109.426 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.472 ' N ' ' CD ' ' A' ' 71' ' ' GLU . 1.9 pm0 -118.22 147.43 43.41 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.284 -0.885 . . . . 0.0 109.455 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -64.38 114.69 4.46 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.2 -0.937 . . . . 0.0 109.629 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.8 t . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.23 -0.919 . . . . 0.0 109.377 179.834 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.2 mttt . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 121.326 0.584 . . . . 0.0 109.745 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.94 153.96 45.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.258 -0.901 . . . . 0.0 109.457 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.65 136.39 33.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.251 -0.906 . . . . 0.0 109.669 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.458 ' N ' ' HB3' ' A' ' 70' ' ' ALA . 17.7 p -128.21 107.88 10.15 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.327 -0.858 . . . . 0.0 109.625 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.575 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 2.2 p90 -94.0 165.52 12.61 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.221 -0.924 . . . . 0.0 109.426 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.605 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -121.74 156.96 32.01 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.218 -0.926 . . . . 0.0 109.795 -179.726 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -142.14 137.47 30.93 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.373 -0.83 . . . . 0.0 109.276 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.404 ' H ' ' HG1' ' A' ' 87' ' ' THR . 0.5 OUTLIER -109.82 157.77 18.84 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.145 -0.972 . . . . 0.0 109.639 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.691 ' SD ' ' CD1' ' A' ' 65' ' ' PHE . 8.5 tpt -155.68 115.72 3.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.229 -0.919 . . . . 0.0 109.481 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -77.99 137.18 38.16 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.231 -0.918 . . . . 0.0 109.452 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.23 156.18 6.87 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.248 -0.908 . . . . 0.0 109.541 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.52 170.73 2.3 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.271 -0.893 . . . . 0.0 109.571 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 59.9 tp -92.33 92.18 8.03 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.298 -0.876 . . . . 0.0 109.538 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -153.26 126.28 8.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.329 -0.857 . . . . 0.0 109.374 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.53 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -49.21 -62.04 1.75 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.259 -0.901 . . . . 0.0 109.644 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.53 ' C ' ' O ' ' A' ' 94' ' ' ALA . 4.9 mtpt -34.95 -47.82 0.37 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.247 -0.908 . . . . 0.0 109.662 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 98' ' ' ASP . 8.4 mp -63.35 -69.89 0.24 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.193 -0.942 . . . . 0.0 109.586 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 96' ' ' LEU . 31.4 mt -41.75 -22.77 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.239 -0.913 . . . . 0.0 109.242 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -75.29 -45.69 38.21 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.419 -0.8 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 96' ' ' LEU . 1.0 OUTLIER -65.21 -45.2 85.72 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.335 -0.853 . . . . 0.0 109.437 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -60.14 -61.36 2.66 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.29 -0.881 . . . . 0.0 109.526 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.462 HG11 ' CZ ' ' A' ' 115' ' ' TYR . 89.0 t -55.12 -47.38 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.211 -0.931 . . . . 0.0 109.549 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.416 ' C ' ' OE1' ' A' ' 102' ' ' GLU . 0.2 OUTLIER -50.04 -35.07 23.56 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.144 -0.973 . . . . 0.0 109.132 179.798 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -56.3 7.82 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.288 -0.883 . . . . 0.0 109.067 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 97.7 mt -55.21 -22.74 18.92 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.371 -0.83 . . . . 0.0 109.414 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.5 t -73.97 -52.6 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.271 -0.893 . . . . 0.0 109.528 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -63.0 -39.98 96.39 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.234 -0.916 . . . . 0.0 109.594 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 108' ' ' ALA . 14.9 tp -65.95 -55.78 15.08 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.245 -0.909 . . . . 0.0 109.52 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 107' ' ' LEU . . . -44.11 -54.97 5.09 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.233 -0.917 . . . . 0.0 109.716 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -67.48 -28.57 67.96 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.274 -0.891 . . . . 0.0 109.756 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -57.96 -32.71 68.11 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.202 -0.936 . . . . 0.0 109.473 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 15.2 m-85 -101.1 -74.89 0.6 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -0.907 . . . . 0.0 109.477 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.6 OUTLIER 166.9 32.72 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.195 -0.941 . . . . 0.0 109.683 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.411 ' CG1' ' HA ' ' A' ' 108' ' ' ALA . 32.2 pt -116.99 166.22 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.187 -0.945 . . . . 0.0 109.397 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -112.75 136.77 47.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.22 -0.925 . . . . 0.0 109.793 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.462 ' CZ ' HG11 ' A' ' 101' ' ' VAL . 0.6 OUTLIER -103.42 108.59 19.9 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.294 -0.879 . . . . 0.0 108.797 179.352 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.442 ' O ' ' CG ' ' A' ' 116' ' ' ASP . 2.2 t0 -150.0 82.53 1.38 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.13 -0.982 . . . . 0.0 109.692 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 161.14 87.97 0.07 OUTLIER Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 2.4 p-90 -128.59 138.02 52.0 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.231 -1.158 . . . . 0.0 109.14 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -153.65 165.42 31.5 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.8 t -120.91 158.89 26.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.25 -1.147 . . . . 0.0 109.44 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.173 -0.954 . . . . 0.0 109.406 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.174 0.511 . . . . 0.0 109.739 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.606 ' CG ' ' N ' ' A' ' 13' ' ' LEU . 6.3 pt-20 -53.24 -47.12 69.3 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.158 -0.964 . . . . 0.0 109.544 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.606 ' N ' ' CG ' ' A' ' 12' ' ' GLU . 84.7 mt -58.12 -44.55 87.8 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.225 -0.922 . . . . 0.0 109.522 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.0 mt -63.55 -38.83 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.262 -0.898 . . . . 0.0 109.568 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 18' ' ' LYS . 7.2 tm-20 -64.42 -67.09 0.46 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.327 -0.858 . . . . 0.0 109.548 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.469 ' C ' ' O ' ' A' ' 15' ' ' GLU . 11.3 mt -41.53 -66.94 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.275 -0.891 . . . . 0.0 109.329 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.576 ' O ' ' OG1' ' A' ' 21' ' ' THR . 1.3 mt-30 -44.6 -31.51 1.16 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.203 -0.936 . . . . 0.0 109.131 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 4.3 ttmm -57.88 -53.79 54.2 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.261 -0.899 . . . . 0.0 109.055 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.523 ' O ' ' C ' ' A' ' 20' ' ' GLU . 12.2 mm-40 -73.45 -61.47 1.82 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.246 -0.909 . . . . 0.0 109.307 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.523 ' C ' ' O ' ' A' ' 19' ' ' GLU . 2.8 tt0 -36.88 -55.38 0.91 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.327 -0.858 . . . . 0.0 109.374 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.576 ' OG1' ' O ' ' A' ' 17' ' ' GLN . 11.7 m -53.15 -59.86 4.01 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.234 -0.916 . . . . 0.0 109.319 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -44.98 -40.6 6.57 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.127 -0.983 . . . . 0.0 109.446 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -55.8 -49.0 74.41 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.278 -0.889 . . . . 0.0 109.741 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 26' ' ' GLN . 78.6 mt -64.93 -68.26 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.173 -0.954 . . . . 0.0 109.735 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.512 ' C ' ' O ' ' A' ' 24' ' ' ILE . 5.8 mm -36.96 -31.5 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.61 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.523 ' N ' ' O ' ' A' ' 24' ' ' ILE . 8.2 mm-40 -72.69 -45.43 58.89 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.215 -0.928 . . . . 0.0 109.733 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . -70.87 -33.9 71.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.197 -0.939 . . . . 0.0 109.684 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -56.02 8.08 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.272 -0.893 . . . . 0.0 109.488 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.7 OUTLIER -54.05 -55.57 26.18 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.269 -0.895 . . . . 0.0 109.258 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -46.59 -43.83 17.6 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.175 -0.953 . . . . 0.0 109.077 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.25 -26.96 13.15 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.217 -0.927 . . . . 0.0 109.312 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 29' ' ' LEU . . . 106.64 25.54 6.22 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.433 ' C ' ' OD1' ' A' ' 34' ' ' ASP . 2.0 p -53.13 -175.05 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.233 -1.157 . . . . 0.0 109.59 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.433 ' OD1' ' C ' ' A' ' 33' ' ' SER . 0.8 OUTLIER -136.31 91.61 16.44 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.29 -0.881 . . . . 0.0 109.391 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.439 ' C ' ' H ' ' A' ' 37' ' ' ALA . 19.5 Cg_exo -61.69 -30.7 85.66 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.776 2.318 . . . . 0.0 112.372 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.36 0.46 1.46 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.247 -0.908 . . . . 0.0 109.667 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.453 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -110.56 22.94 14.85 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.14 -0.975 . . . . 0.0 109.428 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.453 ' O ' ' O ' ' A' ' 37' ' ' ALA . 4.1 mm? 55.0 167.29 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.183 -0.948 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -140.56 151.64 44.88 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.272 -0.892 . . . . 0.0 109.638 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -104.91 124.04 48.79 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.291 -0.881 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.0 mm -98.0 139.89 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.197 -0.939 . . . . 0.0 109.325 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -116.83 113.61 22.75 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.348 -0.845 . . . . 0.0 109.444 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -104.26 140.57 37.67 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.224 -0.922 . . . . 0.0 109.742 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.512 ' NE2' ' OD2' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -118.84 112.37 19.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.343 -0.848 . . . . 0.0 109.253 179.834 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 3.6 mp -123.9 146.39 48.46 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.236 -0.915 . . . . 0.0 109.598 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.646 ' CD1' ' N ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -132.26 167.35 19.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.267 -0.896 . . . . 0.0 109.777 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.11 172.32 17.72 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.35 -0.844 . . . . 0.0 109.442 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -109.55 -27.43 9.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.212 -0.93 . . . . 0.0 109.547 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.1 m-20 -106.48 100.95 10.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.192 -0.943 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -46.5 -15.76 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.205 -0.934 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.566 ' N ' ' CD1' ' A' ' 50' ' ' PHE . 1.7 m-20 -68.0 -63.15 1.12 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.291 -0.88 . . . . 0.0 109.021 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -65.23 -29.29 70.07 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.31 -0.868 . . . . 0.0 109.144 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.3 tt -60.78 -51.08 70.87 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.279 -0.888 . . . . 0.0 109.144 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -61.43 -49.68 75.86 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.333 -0.854 . . . . 0.0 109.414 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -57.63 8.54 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.361 -0.837 . . . . 0.0 109.615 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.26 -49.78 71.17 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.243 -0.91 . . . . 0.0 109.482 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 58' ' ' VAL . . . -52.06 -60.11 3.57 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.317 -0.864 . . . . 0.0 109.559 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 57' ' ' ALA . 80.1 t -42.89 -59.65 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.214 -0.929 . . . . 0.0 109.562 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.617 ' OE1' ' N ' ' A' ' 59' ' ' GLU . 2.4 mp0 -49.58 -38.96 33.48 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.126 -0.984 . . . . 0.0 109.441 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.36 -33.54 74.46 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.284 -0.885 . . . . 0.0 109.731 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -69.92 -51.78 30.09 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.192 -0.943 . . . . 0.0 109.463 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.0 tttp -66.0 -41.91 90.45 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.31 -0.868 . . . . 0.0 109.546 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.0 ttp -51.61 -65.78 0.5 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.181 -0.949 . . . . 0.0 109.378 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 165.45 27.29 0.02 OUTLIER Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.426 ' CZ ' ' HE2' ' A' ' 88' ' ' MET . 64.0 m-85 -115.67 135.33 54.16 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.172 -1.193 . . . . 0.0 109.462 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' VAL . 9.4 mt-10 -84.34 75.86 10.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.294 -0.879 . . . . 0.0 109.481 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' GLU . 2.7 p -43.84 149.05 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.25 -0.906 . . . . 0.0 109.658 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 85' ' ' ASP . 3.1 tp -126.1 137.09 53.58 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.372 -0.83 . . . . 0.0 109.217 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 68' ' ' LEU . 19.6 pt-20 -40.89 158.47 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.18 -0.95 . . . . 0.0 109.618 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -110.85 173.31 6.39 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.271 -0.893 . . . . 0.0 110.038 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.445 ' HG3' ' SG ' ' A' ' 83' ' ' CYS . 1.9 pt-20 -136.43 154.44 50.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.416 -0.803 . . . . 0.0 109.061 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -71.82 127.49 32.74 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.122 -0.986 . . . . 0.0 109.586 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.255 -0.903 . . . . 0.0 109.653 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.279 0.561 . . . . 0.0 109.683 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.1 mt -114.66 163.43 15.45 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.279 -0.888 . . . . 0.0 109.356 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.1 mp -115.5 137.17 52.33 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.259 -0.901 . . . . 0.0 109.095 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.445 ' SG ' ' HG3' ' A' ' 71' ' ' GLU . 4.7 p -132.5 105.15 7.07 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.134 -0.979 . . . . 0.0 110.156 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 45' ' ' LEU . 15.8 p90 -95.87 158.72 15.32 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.234 -0.916 . . . . 0.0 108.907 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.512 ' OD2' ' NE2' ' A' ' 44' ' ' HIS . 0.4 OUTLIER -111.94 171.64 7.38 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.132 -0.98 . . . . 0.0 109.661 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -150.19 119.86 7.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.216 -0.928 . . . . 0.0 109.465 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.99 147.94 25.6 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.247 -0.908 . . . . 0.0 109.659 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.426 ' HE2' ' CZ ' ' A' ' 65' ' ' PHE . 11.9 ttm -147.52 153.71 39.83 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.34 -0.85 . . . . 0.0 109.189 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -107.0 132.04 53.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.274 -0.891 . . . . 0.0 109.193 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 80.4 p -166.76 148.65 6.29 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.216 -0.927 . . . . 0.0 109.555 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.99 153.71 20.73 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.25 -0.906 . . . . 0.0 109.43 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.6 tp -78.15 89.12 4.24 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.223 -0.923 . . . . 0.0 109.383 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.12 118.65 10.36 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.201 -0.937 . . . . 0.0 109.495 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -48.5 -50.22 32.6 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.286 -0.884 . . . . 0.0 109.546 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -48.97 -44.55 40.98 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.24 -0.913 . . . . 0.0 109.538 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.13 -45.01 74.77 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.268 -0.895 . . . . 0.0 109.61 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 29.4 mt -57.72 -29.6 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.183 -0.948 . . . . 0.0 109.604 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -72.76 -47.27 48.23 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.254 -0.904 . . . . 0.0 109.452 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.4 -45.4 93.32 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.246 -0.909 . . . . 0.0 109.516 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.09 -58.78 6.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.235 -0.915 . . . . 0.0 109.326 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.468 HG23 ' HH ' ' A' ' 115' ' ' TYR . 96.4 t -51.23 -39.28 20.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.224 -0.922 . . . . 0.0 109.118 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -54.1 -44.28 71.11 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.252 -0.905 . . . . 0.0 109.334 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -64.72 -43.94 91.79 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.209 -0.932 . . . . 0.0 109.306 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 57.3 mt -62.75 -28.36 69.92 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.137 -0.977 . . . . 0.0 109.329 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 6.8 t -74.6 -49.05 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.235 -0.916 . . . . 0.0 109.568 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -61.22 -52.41 64.89 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.266 -0.896 . . . . 0.0 109.671 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.487 ' O ' ' C ' ' A' ' 108' ' ' ALA . 1.1 tt -60.6 -57.99 10.38 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.17 -0.956 . . . . 0.0 109.661 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.487 ' C ' ' O ' ' A' ' 107' ' ' LEU . . . -38.74 -54.8 1.56 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.234 -0.916 . . . . 0.0 109.441 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -65.93 -33.02 74.88 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.339 -0.851 . . . . 0.0 109.537 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 107' ' ' LEU . 3.3 tptm -50.38 -36.73 33.88 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.294 -0.879 . . . . 0.0 109.459 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.473 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 65.8 m-85 -98.02 -77.26 0.51 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.233 -0.917 . . . . 0.0 109.694 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 1.1 m-20 167.22 31.21 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.231 -0.918 . . . . 0.0 109.587 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 22.5 pt -111.08 137.12 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.179 -0.951 . . . . 0.0 109.467 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.452 HD12 ' N ' ' A' ' 115' ' ' TYR . 0.1 OUTLIER -84.42 125.97 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.242 -0.911 . . . . 0.0 109.316 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.468 ' HH ' HG23 ' A' ' 101' ' ' VAL . 8.6 t80 -95.03 111.73 23.51 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.194 -0.941 . . . . 0.0 109.635 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' A' ' 116' ' ' ASP . 4.2 t70 -156.46 84.15 0.98 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.218 -0.926 . . . . 0.0 109.443 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 159.65 92.29 0.09 OUTLIER Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.955 -1.258 . . . . 0.0 109.955 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.685 ' O ' ' CG ' ' A' ' 118' ' ' TRP . 3.1 p-90 -134.4 112.93 11.37 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.194 -1.18 . . . . 0.0 109.178 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -128.95 161.19 22.52 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.16 164.62 13.62 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.258 -1.142 . . . . 0.0 109.509 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.347 -0.846 . . . . 0.0 109.243 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.193 0.521 . . . . 0.0 109.688 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.469 ' HG2' ' N ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -46.41 -44.44 17.18 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.167 -0.958 . . . . 0.0 109.349 -179.812 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.469 ' N ' ' HG2' ' A' ' 12' ' ' GLU . 62.4 mt -56.27 -41.22 75.49 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.257 -0.902 . . . . 0.0 109.303 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.1 mt -67.1 -42.89 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.3 -0.875 . . . . 0.0 109.306 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.57 -52.35 65.75 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.32 -0.862 . . . . 0.0 109.268 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.7 mt -56.92 -60.72 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.231 -0.918 . . . . 0.0 109.401 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.432 ' OE1' ' CD1' ' A' ' 118' ' ' TRP . 30.4 mm-40 -48.45 -36.12 14.29 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.283 -0.886 . . . . 0.0 109.444 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.534 ' NZ ' ' OD2' ' A' ' 98' ' ' ASP . 5.8 ttmm -57.84 -51.69 68.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.283 -0.885 . . . . 0.0 109.443 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.525 ' O ' ' C ' ' A' ' 20' ' ' GLU . 2.4 tp10 -63.78 -60.6 3.09 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.344 -0.848 . . . . 0.0 109.623 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.525 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -36.36 -70.89 0.08 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.248 -0.908 . . . . 0.0 109.694 -179.821 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' GLU . 42.4 m -42.74 -51.78 5.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.209 -0.932 . . . . 0.0 109.601 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.712 ' CG ' HH11 ' A' ' 22' ' ' ARG . 0.0 OUTLIER -47.19 -56.4 6.74 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.065 -1.022 . . . . 0.0 109.835 -179.674 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.514 ' C ' ' OD1' ' A' ' 23' ' ' ASP . 0.3 OUTLIER -53.76 -31.36 48.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.155 -0.966 . . . . 0.0 109.345 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' ILE . 43.1 mt -75.89 -71.22 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.32 -0.862 . . . . 0.0 109.256 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 24' ' ' ILE . 12.2 mm -42.12 -29.47 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.256 -0.902 . . . . 0.0 109.262 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.637 ' NE2' ' O ' ' A' ' 26' ' ' GLN . 12.3 tp60 -73.61 -48.56 31.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.343 -0.848 . . . . 0.0 109.322 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.41 -29.44 69.6 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.204 -0.935 . . . . 0.0 109.32 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 70.7 mt -71.72 -61.53 1.75 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.265 -0.897 . . . . 0.0 109.276 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.14 -29.89 24.06 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.265 -0.897 . . . . 0.0 109.185 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -78.8 -34.24 45.56 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.294 -0.879 . . . . 0.0 109.362 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.56 -29.61 68.2 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.287 -0.883 . . . . 0.0 109.423 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.518 ' O ' ' O ' ' A' ' 33' ' ' SER . . . 132.46 5.46 3.28 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.518 ' O ' ' O ' ' A' ' 32' ' ' GLY . 0.4 OUTLIER -40.83 164.71 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.271 -1.135 . . . . 0.0 109.348 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -142.6 95.88 6.34 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.134 -0.979 . . . . 0.0 109.735 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -54.26 -14.67 6.92 Favored 'Trans proline' 0 C--N 1.309 -1.535 0 C-N-CA 122.564 2.176 . . . . 0.0 111.995 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.89 20.74 2.49 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.217 -0.927 . . . . 0.0 109.432 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -130.7 6.91 4.76 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.227 -0.921 . . . . 0.0 109.407 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 mt 60.57 157.46 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.209 -0.932 . . . . 0.0 109.714 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -137.62 162.56 33.47 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.208 -0.933 . . . . 0.0 109.403 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -112.95 111.24 21.85 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.23 -0.918 . . . . 0.0 109.46 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.404 HD11 ' HG ' ' A' ' 90' ' ' SER . 8.9 mm -83.04 153.64 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.301 -0.874 . . . . 0.0 109.502 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.441 ' C ' ' CD ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -135.25 105.61 6.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.341 -0.849 . . . . 0.0 109.287 179.838 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -100.25 146.42 26.92 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.232 -0.918 . . . . 0.0 109.615 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -118.36 132.0 56.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.303 -0.873 . . . . 0.0 109.219 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 2.2 mp -133.23 149.51 51.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.097 -1.002 . . . . 0.0 109.795 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.591 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -135.58 158.96 43.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.262 -0.898 . . . . 0.0 109.61 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -151.87 -179.98 7.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.288 -0.883 . . . . 0.0 109.663 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -115.76 -36.61 4.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.286 -0.884 . . . . 0.0 109.384 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.424 ' C ' ' H ' ' A' ' 51' ' ' ASP . 7.3 t0 -108.0 115.12 29.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.279 -0.888 . . . . 0.0 109.492 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -52.75 -12.04 0.27 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.219 -0.926 . . . . 0.0 109.496 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.424 ' H ' ' C ' ' A' ' 49' ' ' ASP . 23.6 t70 -67.19 -71.66 0.19 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.202 -0.936 . . . . 0.0 109.489 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -57.56 -36.99 72.37 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.253 -0.905 . . . . 0.0 109.507 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.407 ' CD2' ' C ' ' A' ' 53' ' ' LEU . 6.5 tt -58.26 -52.68 64.58 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.242 -0.911 . . . . 0.0 109.812 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -55.16 -56.62 17.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.27 -0.894 . . . . 0.0 109.879 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -50.06 -59.65 3.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.171 -0.956 . . . . 0.0 109.885 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.79 -36.31 58.0 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.343 -0.848 . . . . 0.0 109.948 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.17 -43.53 98.62 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.223 -0.923 . . . . 0.0 109.777 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.9 t -62.17 -49.21 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.14 -0.975 . . . . 0.0 109.917 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.24 -33.44 65.41 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.183 -0.948 . . . . 0.0 109.796 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.54 -64.6 0.82 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.185 -0.947 . . . . 0.0 109.59 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -51.89 -39.31 58.83 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.165 -0.96 . . . . 0.0 109.547 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -53.8 -54.35 39.57 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.236 -0.915 . . . . 0.0 109.458 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 10.2 mtt -51.31 -44.25 61.88 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.261 -0.899 . . . . 0.0 109.484 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.52 28.77 0.09 OUTLIER Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.728 ' CZ ' ' SD ' ' A' ' 88' ' ' MET . 39.9 m-85 -102.75 169.3 8.7 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.225 -1.162 . . . . 0.0 109.424 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.566 ' CB ' ' HG1' ' A' ' 87' ' ' THR . 2.9 mt-10 -118.65 84.78 2.24 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.271 -0.893 . . . . 0.0 109.321 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.16 141.93 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.314 -0.866 . . . . 0.0 109.585 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.677 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -119.79 149.09 42.62 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.273 -0.892 . . . . 0.0 109.35 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -48.89 156.87 0.45 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.221 -0.925 . . . . 0.0 109.564 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 83' ' ' CYS . . . -108.74 179.45 4.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.311 -0.868 . . . . 0.0 109.665 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -147.06 132.88 19.0 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.353 -0.842 . . . . 0.0 109.439 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.85 119.56 3.62 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.293 -0.88 . . . . 0.0 109.524 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.24 -0.912 . . . . 0.0 109.549 179.853 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.5 mttt . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.438 HD13 ' N ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -155.84 -165.64 2.0 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.211 -0.93 . . . . 0.0 109.55 -179.835 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.1 mp -112.85 144.88 41.65 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.182 -0.949 . . . . 0.0 109.546 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER -139.33 115.98 10.72 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.355 -0.84 . . . . 0.0 109.574 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.649 ' N ' ' CD1' ' A' ' 84' ' ' PHE . 0.8 OUTLIER -100.16 169.3 9.25 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.34 -0.85 . . . . 0.0 109.246 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.677 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -123.85 142.13 51.4 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.261 -0.899 . . . . 0.0 109.806 -179.656 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -122.83 131.49 53.78 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.274 -0.891 . . . . 0.0 109.148 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.566 ' HG1' ' CB ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -111.97 147.39 36.0 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.143 -0.973 . . . . 0.0 109.721 -179.755 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.728 ' SD ' ' CZ ' ' A' ' 65' ' ' PHE . 10.6 ttt -144.8 154.42 42.67 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.335 -0.853 . . . . 0.0 109.128 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -106.84 122.15 45.82 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.017 -1.052 . . . . 0.0 109.451 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.404 ' HG ' HD11 ' A' ' 41' ' ' ILE . 55.7 p -138.99 167.99 20.82 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.287 -0.883 . . . . 0.0 109.478 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.538 ' O ' ' C ' ' A' ' 92' ' ' LEU . . . -88.86 43.31 1.13 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.153 -0.967 . . . . 0.0 109.378 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.538 ' C ' ' O ' ' A' ' 91' ' ' ALA . 6.5 tp 36.3 80.97 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.139 -0.975 . . . . 0.0 109.501 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -138.68 147.83 43.27 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.209 -0.932 . . . . 0.0 109.367 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.96 -51.65 10.78 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.23 -0.919 . . . . 0.0 109.451 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.5 tttm -54.11 -55.31 28.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.216 -0.927 . . . . 0.0 109.358 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.1 mt -59.45 -48.89 79.91 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.339 -0.85 . . . . 0.0 109.496 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 18.1 mt -55.43 -28.7 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.193 -0.942 . . . . 0.0 109.499 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.534 ' OD2' ' NZ ' ' A' ' 18' ' ' LYS . 7.8 t0 -68.1 -51.36 47.24 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.308 -0.87 . . . . 0.0 109.478 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -55.28 -34.24 63.92 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.257 -0.902 . . . . 0.0 109.649 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 101' ' ' VAL . 16.9 mt-30 -69.94 -69.06 0.37 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.237 -0.914 . . . . 0.0 109.652 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 100' ' ' GLN . 53.0 t -43.1 -44.79 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.306 -0.871 . . . . 0.0 109.632 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -55.92 -45.35 78.75 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.155 -0.965 . . . . 0.0 109.458 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -61.44 -54.01 49.13 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.201 -0.937 . . . . 0.0 109.392 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 66.7 mt -59.42 -18.08 36.1 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.26 -0.9 . . . . 0.0 109.231 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.6 t -82.42 -70.03 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.316 -0.865 . . . . 0.0 109.382 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -48.75 -33.5 10.4 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.16 -0.962 . . . . 0.0 109.32 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 110' ' ' LYS . 1.2 tp -74.74 -61.78 1.76 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.298 -0.876 . . . . 0.0 109.352 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.478 ' C ' ' O ' ' A' ' 107' ' ' LEU . . . -40.16 -43.25 1.61 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.221 -0.925 . . . . 0.0 109.278 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.69 -27.62 45.12 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.207 -0.933 . . . . 0.0 109.438 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' A' ' 107' ' ' LEU . 5.7 tptp -56.7 -33.6 66.62 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.208 -0.932 . . . . 0.0 109.366 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.483 ' O ' ' CG ' ' A' ' 112' ' ' ASP . 12.0 m-85 -99.26 -76.91 0.53 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.272 -0.893 . . . . 0.0 109.344 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.483 ' CG ' ' O ' ' A' ' 111' ' ' PHE . 0.8 OUTLIER 168.67 31.67 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.189 -0.944 . . . . 0.0 109.869 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.4 pt -113.96 146.14 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.199 -0.938 . . . . 0.0 109.078 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -97.15 114.22 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.121 -0.987 . . . . 0.0 109.988 -179.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.487 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 0.1 OUTLIER -93.72 106.64 18.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.321 -0.862 . . . . 0.0 108.838 179.566 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -146.73 85.02 1.62 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.22 -0.925 . . . . 0.0 109.583 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 157.22 92.66 0.09 OUTLIER Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.432 ' CD1' ' OE1' ' A' ' 17' ' ' GLN . 3.2 p-90 -128.83 135.72 49.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.22 -1.165 . . . . 0.0 109.428 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -154.67 145.42 12.56 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.461 -1.455 . . . . 0.0 109.461 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.45 172.64 8.07 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.284 -1.127 . . . . 0.0 109.492 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.312 -0.868 . . . . 0.0 109.307 179.805 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 13' ' ' LEU . 8.7 pt-20 -49.36 -37.69 25.7 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.127 -0.983 . . . . 0.0 109.379 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.455 ' N ' ' CG ' ' A' ' 12' ' ' GLU . 40.5 mt -64.86 -48.67 73.46 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.231 -0.918 . . . . 0.0 109.417 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.2 mt -58.61 -43.99 88.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.171 -0.956 . . . . 0.0 109.455 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -56.25 -66.55 0.41 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.326 -0.859 . . . . 0.0 109.483 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.46 ' H ' HD13 ' A' ' 16' ' ' ILE . 1.3 mp -47.31 -45.01 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.244 -0.91 . . . . 0.0 109.343 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.419 ' NE2' HG11 ' A' ' 101' ' ' VAL . 0.0 OUTLIER -54.77 -42.95 72.34 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.225 -0.922 . . . . 0.0 109.617 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.615 ' NZ ' ' OD2' ' A' ' 98' ' ' ASP . 50.7 mttm -61.67 -37.76 85.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.149 -0.969 . . . . 0.0 109.584 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -61.87 -60.01 4.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.08 -1.013 . . . . 0.0 109.594 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.0 -34.08 8.82 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.274 -0.891 . . . . 0.0 109.389 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 22' ' ' ARG . 2.4 m -68.17 -58.7 4.03 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.295 -0.878 . . . . 0.0 109.409 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 21' ' ' THR . 6.4 mmm180 -44.86 -44.86 9.88 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.275 -0.89 . . . . 0.0 109.848 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -62.67 -46.6 87.44 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.145 -0.972 . . . . 0.0 109.951 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 55.6 mt -64.94 -55.4 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.264 -0.898 . . . . 0.0 109.822 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 22.7 mm -51.49 -29.88 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.168 -0.958 . . . . 0.0 109.648 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -66.22 -59.98 3.23 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.199 -0.938 . . . . 0.0 109.7 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.25 -46.92 36.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.304 -0.872 . . . . 0.0 109.842 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 29' ' ' LEU . 1.8 mt -64.06 -69.13 0.3 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.229 -0.919 . . . . 0.0 109.877 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -41.21 -37.89 1.01 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.202 -0.936 . . . . 0.0 109.588 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -58.93 -51.91 68.03 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.204 -0.935 . . . . 0.0 109.515 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.58 -29.64 52.06 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.149 -0.969 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 113.81 14.04 9.76 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.9 t -47.75 142.96 4.26 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.294 -1.121 . . . . 0.0 109.572 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -106.81 146.1 32.42 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.289 -0.882 . . . . 0.0 109.263 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -70.0 -18.9 35.58 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.686 2.257 . . . . 0.0 112.218 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -88.3 7.8 30.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.249 -0.907 . . . . 0.0 109.461 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -90.41 -10.56 43.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.254 -0.904 . . . . 0.0 109.676 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.0 tp 64.95 139.16 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.181 -0.949 . . . . 0.0 109.439 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -133.54 146.19 50.82 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.303 -0.873 . . . . 0.0 109.437 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -103.37 122.08 44.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.207 -0.933 . . . . 0.0 109.376 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.501 ' CG2' ' HE2' ' A' ' 43' ' ' HIS . 2.2 mm -91.2 126.02 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.245 -0.91 . . . . 0.0 109.611 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.17 116.65 32.3 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.294 -0.879 . . . . 0.0 109.323 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.501 ' HE2' ' CG2' ' A' ' 41' ' ' ILE . 14.2 m-70 -110.66 137.36 48.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.157 -0.964 . . . . 0.0 109.464 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.453 ' CD2' ' OD1' ' A' ' 85' ' ' ASP . 33.1 m170 -111.81 135.88 51.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.286 -0.884 . . . . 0.0 109.419 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.469 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 3.4 mp -140.47 144.55 36.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.179 -0.95 . . . . 0.0 109.601 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.552 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -129.73 154.28 47.34 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.303 -0.873 . . . . 0.0 109.497 179.876 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.509 ' C ' ' OE2' ' A' ' 48' ' ' GLU . . . -135.5 171.2 14.78 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.22 -0.925 . . . . 0.0 109.373 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.738 ' H ' ' HZ2' ' A' ' 52' ' ' LYS . 2.1 mp0 -108.61 -12.29 14.99 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.296 -0.877 . . . . 0.0 109.488 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.441 ' H ' ' HE3' ' A' ' 52' ' ' LYS . 66.1 m-20 -135.65 127.63 29.58 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.295 -0.878 . . . . 0.0 109.555 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.76 -17.68 25.32 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.277 -0.89 . . . . 0.0 109.432 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.82 -68.65 0.33 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.27 -0.894 . . . . 0.0 109.447 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.738 ' HZ2' ' H ' ' A' ' 48' ' ' GLU . 5.3 pttt -60.81 -27.82 68.33 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.218 -0.926 . . . . 0.0 109.437 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.7 tt -61.49 -56.53 19.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.277 -0.89 . . . . 0.0 109.573 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.86 -42.4 84.42 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.227 -0.92 . . . . 0.0 109.518 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -60.52 -60.92 3.03 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.244 -0.91 . . . . 0.0 109.529 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.21 -57.4 11.31 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.268 -0.895 . . . . 0.0 109.793 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.498 ' O ' ' C ' ' A' ' 58' ' ' VAL . . . -45.28 -62.67 1.17 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.149 -0.969 . . . . 0.0 109.685 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.498 ' C ' ' O ' ' A' ' 57' ' ' ALA . 2.0 t -38.6 -51.52 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.289 -0.882 . . . . 0.0 109.571 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.48 ' O ' ' C ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -55.54 -57.26 12.66 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.29 -0.881 . . . . 0.0 109.694 -179.638 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.48 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . -40.03 -47.09 2.23 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.2 -0.938 . . . . 0.0 109.587 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -63.36 -40.41 97.18 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.222 -0.924 . . . . 0.0 109.682 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -60.36 -41.14 93.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.235 -0.916 . . . . 0.0 109.571 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 28.2 mtm -69.12 -48.66 61.88 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.22 -0.925 . . . . 0.0 109.477 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.38 32.73 0.09 OUTLIER Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.624 ' CE2' ' SD ' ' A' ' 88' ' ' MET . 32.6 m-85 -108.73 118.56 37.09 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.26 -1.141 . . . . 0.0 109.465 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -69.37 86.71 0.43 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.209 -0.932 . . . . 0.0 109.416 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 9.4 p -62.59 132.26 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.259 -0.901 . . . . 0.0 109.393 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.48 150.1 28.61 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.29 -0.881 . . . . 0.0 109.632 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -48.95 152.85 0.96 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.43 -0.794 . . . . 0.0 109.667 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -101.27 167.71 10.02 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.472 -0.767 . . . . 0.0 109.202 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.516 ' O ' ' C ' ' A' ' 72' ' ' GLU . 71.7 tt0 -136.41 112.23 9.51 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.172 -0.955 . . . . 0.0 109.539 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.576 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 1.2 pm0 -37.74 100.92 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.355 -0.84 . . . . 0.0 109.379 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 71' ' ' GLU . 12.5 t . . . . . 0 N--CA 1.489 1.491 0 O-C-N 121.299 -0.875 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 121.229 0.538 . . . . 0.0 109.65 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.455 HD11 ' H ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -127.28 144.57 51.02 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.273 -0.892 . . . . 0.0 109.299 179.738 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.41 132.92 38.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.194 -0.941 . . . . 0.0 109.438 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.4 p -123.7 106.85 10.86 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.206 -0.934 . . . . 0.0 109.478 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 45' ' ' LEU . 9.0 p90 -99.14 161.39 13.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.114 -0.991 . . . . 0.0 109.382 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.453 ' OD1' ' CD2' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -109.23 171.48 7.41 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.251 -0.906 . . . . 0.0 109.715 -179.664 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -155.41 125.77 6.77 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.418 -0.802 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.46 149.82 35.72 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.085 -1.01 . . . . 0.0 109.82 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.624 ' SD ' ' CE2' ' A' ' 65' ' ' PHE . 13.0 ttt -152.55 111.07 3.74 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.372 -0.83 . . . . 0.0 109.37 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -58.43 144.37 42.26 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.29 -0.881 . . . . 0.0 109.653 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.47 170.63 14.23 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.28 -0.887 . . . . 0.0 109.421 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.54 ' O ' ' C ' ' A' ' 92' ' ' LEU . . . -102.3 122.13 43.63 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.218 -0.926 . . . . 0.0 109.561 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.54 ' C ' ' O ' ' A' ' 91' ' ' ALA . 4.7 tp -36.19 102.39 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.257 -0.902 . . . . 0.0 109.461 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.515 ' O ' ' C ' ' A' ' 94' ' ' ALA . 1.4 m-20 -159.73 97.22 1.29 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.198 -0.939 . . . . 0.0 109.561 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 93' ' ' ASP . . . -37.31 -47.0 0.8 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.257 -0.902 . . . . 0.0 109.416 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.494 ' CB ' ' HZ2' ' A' ' 95' ' ' LYS . 6.4 mtpm? -52.45 -55.0 24.84 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.224 -0.923 . . . . 0.0 109.404 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 99' ' ' GLU . 0.2 OUTLIER -64.7 -61.63 2.07 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.25 -0.906 . . . . 0.0 109.102 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.492 ' C ' ' O ' ' A' ' 96' ' ' LEU . 34.4 mt -38.68 -38.14 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.39 -0.819 . . . . 0.0 109.396 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.615 ' OD2' ' NZ ' ' A' ' 18' ' ' LYS . 89.9 m-20 -67.3 -41.42 85.38 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.192 -0.943 . . . . 0.0 109.321 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 96' ' ' LEU . 5.0 mm-40 -61.39 -43.06 99.52 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.313 -0.867 . . . . 0.0 109.374 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.412 HE22 HG13 ' A' ' 41' ' ' ILE . 7.5 mt-30 -63.27 -44.13 95.97 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.271 -0.893 . . . . 0.0 109.294 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.539 ' O ' ' C ' ' A' ' 102' ' ' GLU . 69.8 t -64.88 -63.13 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.295 -0.878 . . . . 0.0 109.493 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.539 ' C ' ' O ' ' A' ' 101' ' ' VAL . 4.2 tt0 -35.76 -47.57 0.5 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.299 -0.876 . . . . 0.0 109.553 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -60.3 -42.73 96.11 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.236 -0.915 . . . . 0.0 109.476 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 101' ' ' VAL . 84.2 mt -71.24 -17.81 62.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.303 -0.873 . . . . 0.0 109.698 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.0 t -82.51 -50.95 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.217 -0.927 . . . . 0.0 109.745 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.522 ' N ' ' OD1' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -66.04 -43.26 88.05 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.209 -0.932 . . . . 0.0 109.906 -179.69 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.15 -50.49 61.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.281 -0.887 . . . . 0.0 109.676 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.85 -53.25 26.84 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.276 -0.89 . . . . 0.0 109.722 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -69.29 -19.44 63.9 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.242 -0.911 . . . . 0.0 109.644 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.437 ' HB3' ' NZ ' ' A' ' 110' ' ' LYS . 2.1 ttpm? -68.01 -32.48 72.9 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.176 -0.953 . . . . 0.0 109.598 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.563 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 11.4 m-85 -97.7 -77.22 0.5 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.189 -0.944 . . . . 0.0 109.689 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.587 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER 170.41 30.62 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.197 -0.939 . . . . 0.0 109.681 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 22.2 pt -114.26 173.68 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.221 -0.925 . . . . 0.0 109.192 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.8 tt -123.85 131.23 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.049 -1.032 . . . . 0.0 109.822 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.687 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 1.4 t80 -101.89 95.55 6.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.404 -0.81 . . . . 0.0 108.932 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -142.05 80.48 1.71 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.232 -0.917 . . . . 0.0 109.683 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 159.3 77.27 0.02 OUTLIER Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -116.49 150.6 37.64 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.052 -1.264 . . . . 0.0 109.153 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.12 167.69 36.16 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.605 ' HG1' ' N ' ' A' ' 121' ' ' TYR . 4.4 t -127.42 167.7 15.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.405 -1.056 . . . . 0.0 109.391 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.605 ' N ' ' HG1' ' A' ' 120' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.233 -0.917 . . . . 0.0 109.577 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.235 0.541 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.411 ' CG ' ' N ' ' A' ' 13' ' ' LEU . 5.3 pt-20 -56.68 -34.64 67.59 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.199 -0.938 . . . . 0.0 109.483 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.411 ' N ' ' CG ' ' A' ' 12' ' ' GLU . 89.4 mt -69.84 -43.19 72.43 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.19 -0.944 . . . . 0.0 109.309 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.2 mt -61.49 -37.94 78.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.286 -0.884 . . . . 0.0 109.506 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -63.05 -56.58 15.75 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.276 -0.89 . . . . 0.0 109.478 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.4 mt -47.94 -67.12 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.334 -0.854 . . . . 0.0 109.643 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -45.71 -39.16 7.7 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.305 -0.872 . . . . 0.0 109.777 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.2 ttmt -58.16 -39.51 79.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.223 -0.923 . . . . 0.0 109.56 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -74.01 -56.92 4.35 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.247 -0.908 . . . . 0.0 109.446 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -48.66 -61.24 2.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.268 -0.895 . . . . 0.0 109.571 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.489 ' O ' ' C ' ' A' ' 22' ' ' ARG . 98.4 m -48.04 -63.21 1.13 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.253 -0.904 . . . . 0.0 109.578 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.489 ' C ' ' O ' ' A' ' 21' ' ' THR . 1.5 ttp180 -39.05 -37.61 0.39 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.287 -0.883 . . . . 0.0 109.653 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -47.4 71.82 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.198 -0.939 . . . . 0.0 109.502 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.475 ' O ' ' C ' ' A' ' 25' ' ' ILE . 19.2 mt -63.32 -61.12 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.293 -0.879 . . . . 0.0 109.526 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.475 ' C ' ' O ' ' A' ' 24' ' ' ILE . 11.4 mm -39.21 -48.02 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.253 -0.904 . . . . 0.0 109.571 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -60.05 -43.07 95.62 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.181 -0.95 . . . . 0.0 109.397 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . -61.24 -65.03 0.76 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.26 -0.9 . . . . 0.0 109.424 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.668 ' O ' ' N ' ' A' ' 32' ' ' GLY . 13.9 mt -43.98 -52.3 7.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.309 -0.869 . . . . 0.0 109.378 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.7 mt -50.66 -33.64 23.26 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.255 -0.903 . . . . 0.0 109.538 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 27' ' ' ALA . 1.4 tt0 -74.2 -37.78 63.81 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.215 -0.928 . . . . 0.0 109.581 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -129.49 42.0 3.36 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.203 -0.935 . . . . 0.0 109.519 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.668 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -178.63 27.95 0.06 OUTLIER Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.53 75.35 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.248 -1.148 . . . . 0.0 109.599 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -138.32 52.24 4.55 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.138 -0.976 . . . . 0.0 109.411 179.806 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 34' ' ' ASP . 27.1 Cg_endo -65.47 -19.35 60.98 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.875 2.383 . . . . 0.0 112.225 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -85.46 -6.55 59.19 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.259 -0.901 . . . . 0.0 109.474 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.11 10.71 36.75 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.287 -0.883 . . . . 0.0 109.456 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.468 HD12 ' H ' ' A' ' 39' ' ' TYR . 0.2 OUTLIER 64.56 141.25 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.284 -0.885 . . . . 0.0 109.359 179.897 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.468 ' H ' HD12 ' A' ' 38' ' ' LEU . 2.1 m-85 -119.25 169.33 10.06 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.32 -0.863 . . . . 0.0 109.445 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -123.6 114.72 20.4 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.272 -0.893 . . . . 0.0 109.546 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.439 ' N ' HD13 ' A' ' 41' ' ' ILE . 6.6 mm -90.0 154.4 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.257 -0.902 . . . . 0.0 109.403 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -137.8 122.15 18.24 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.206 -0.934 . . . . 0.0 109.616 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -116.19 138.47 51.25 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.274 -0.891 . . . . 0.0 109.614 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -114.06 131.16 56.48 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.248 -0.908 . . . . 0.0 109.245 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.458 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 3.0 mp -135.42 147.75 49.09 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.365 -0.834 . . . . 0.0 109.428 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.601 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 1.7 p90 -134.66 150.61 50.66 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 0.0 109.656 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.46 176.91 8.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.444 -0.785 . . . . 0.0 109.682 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -112.09 -52.61 2.77 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.379 -0.825 . . . . 0.0 109.298 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.67 ' O ' ' N ' ' A' ' 51' ' ' ASP . 5.1 t0 -79.58 99.91 7.54 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.231 -0.918 . . . . 0.0 109.508 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -43.76 -12.08 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.244 -0.91 . . . . 0.0 109.506 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.67 ' N ' ' O ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -73.78 -66.69 0.67 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.198 -0.939 . . . . 0.0 109.512 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -59.96 -18.93 49.16 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.189 -0.944 . . . . 0.0 109.653 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.498 ' CD2' ' C ' ' A' ' 53' ' ' LEU . 3.7 tt -71.83 -62.95 1.24 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.184 -0.947 . . . . 0.0 109.605 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -59.84 -20.45 57.07 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.227 -0.921 . . . . 0.0 109.509 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -76.84 -54.98 5.9 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.28 -0.888 . . . . 0.0 109.384 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.96 -31.51 72.64 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.303 -0.873 . . . . 0.0 109.364 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.7 -51.62 47.37 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.317 -0.864 . . . . 0.0 109.475 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.9 t -50.41 -56.32 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.253 -0.904 . . . . 0.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -48.41 -52.79 20.35 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.248 -0.908 . . . . 0.0 109.384 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -46.67 -47.93 20.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.249 -0.907 . . . . 0.0 109.266 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -52.23 -54.22 33.77 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.318 -0.864 . . . . 0.0 109.489 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -46.94 -41.38 16.01 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.274 -0.891 . . . . 0.0 109.431 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 60.1 mtt -63.54 -56.97 11.82 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.249 -0.907 . . . . 0.0 109.381 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.07 43.34 0.04 OUTLIER Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.444 ' CD1' ' HB2' ' A' ' 88' ' ' MET . 18.3 m-85 -113.32 145.97 40.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.283 -1.128 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.657 ' OE1' ' N ' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -89.42 70.87 8.08 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.254 -0.903 . . . . 0.0 109.415 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.9 p -46.57 149.11 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.242 -0.911 . . . . 0.0 109.411 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -132.6 150.03 52.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.294 -0.879 . . . . 0.0 109.59 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -56.45 172.79 0.21 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.258 -0.902 . . . . 0.0 109.696 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.467 ' HB3' ' N ' ' A' ' 83' ' ' CYS . . . -119.86 -179.86 4.04 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.427 -0.796 . . . . 0.0 109.416 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.472 ' O ' ' C ' ' A' ' 72' ' ' GLU . 43.7 tt0 -146.38 135.78 22.92 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.15 -0.969 . . . . 0.0 109.525 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -40.1 111.89 0.23 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.224 -0.923 . . . . 0.0 109.285 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.9 t . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.21 -0.931 . . . . 0.0 109.65 -179.781 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.85 161.52 20.03 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.208 -0.933 . . . . 0.0 109.427 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.479 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -100.18 129.29 46.18 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.22 -0.925 . . . . 0.0 109.502 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.64 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 24.3 p -123.79 100.03 6.57 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.413 -0.804 . . . . 0.0 109.927 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.458 ' CZ ' ' HB2' ' A' ' 45' ' ' LEU . 19.3 p90 -89.87 157.76 17.75 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.214 -0.929 . . . . 0.0 108.748 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.671 ' OD1' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -112.27 171.56 7.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.082 -1.011 . . . . 0.0 110.352 -179.187 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.671 ' N ' ' OD1' ' A' ' 85' ' ' ASP . . . -150.91 110.82 4.08 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.458 ' HG1' ' HB2' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -103.13 159.31 15.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.304 -0.872 . . . . 0.0 109.953 -179.439 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.481 ' SD ' ' NE2' ' A' ' 100' ' ' GLN . 0.9 OUTLIER -160.88 117.08 2.26 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.314 -0.866 . . . . 0.0 109.346 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -76.19 123.57 26.07 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.201 -0.937 . . . . 0.0 109.414 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.428 ' OG ' ' CD2' ' A' ' 96' ' ' LEU . 1.3 t -157.37 152.09 25.44 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.222 -0.924 . . . . 0.0 109.557 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.19 163.42 0.23 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.338 -0.851 . . . . 0.0 109.639 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.414 ' HB2' ' CD1' ' A' ' 39' ' ' TYR . 5.9 tp -92.07 106.17 18.25 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.241 -0.912 . . . . 0.0 109.335 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -152.84 121.54 6.44 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.202 -0.936 . . . . 0.0 109.542 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -47.87 -65.35 0.58 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.271 -0.893 . . . . 0.0 109.471 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.535 ' O ' ' N ' ' A' ' 98' ' ' ASP . 10.6 mttt -40.15 -65.0 0.44 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.254 -0.904 . . . . 0.0 109.424 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.465 ' C ' ' O ' ' A' ' 95' ' ' LYS . 0.4 OUTLIER -41.89 -56.05 2.87 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.196 -0.94 . . . . 0.0 109.193 179.855 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 32.6 mt -54.07 -27.98 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.396 -0.815 . . . . 0.0 109.29 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.535 ' N ' ' O ' ' A' ' 95' ' ' LYS . 0.4 OUTLIER -69.74 -56.39 7.3 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.265 -0.897 . . . . 0.0 109.447 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -56.35 -33.94 66.14 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.198 -0.939 . . . . 0.0 109.473 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.481 ' NE2' ' SD ' ' A' ' 88' ' ' MET . 31.0 mt-30 -69.16 -62.1 1.52 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.252 -0.905 . . . . 0.0 109.414 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 38.0 t -52.34 -44.4 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.296 -0.877 . . . . 0.0 109.253 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.679 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 0.9 OUTLIER -56.18 -38.26 70.7 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.397 -0.814 . . . . 0.0 109.482 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 13.8 mttm -66.83 -42.6 85.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.165 -0.96 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.9 mt -68.52 -32.05 71.74 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.191 -0.943 . . . . 0.0 109.393 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 75.8 t -68.51 -39.3 80.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.368 -0.833 . . . . 0.0 109.862 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.679 ' ND2' ' O ' ' A' ' 102' ' ' GLU . 0.4 OUTLIER -68.34 -52.67 30.79 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.229 -0.919 . . . . 0.0 109.713 -179.743 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.3 tp -58.9 -51.0 71.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.08 -1.013 . . . . 0.0 109.55 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.3 -56.72 5.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.335 -0.853 . . . . 0.0 109.709 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -67.07 -16.67 64.49 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.244 -0.91 . . . . 0.0 109.738 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.3 tttm -76.04 -23.12 55.09 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.139 -0.976 . . . . 0.0 109.661 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.476 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 23.5 m-85 -107.79 -77.2 0.6 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.184 -0.947 . . . . 0.0 109.852 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.3 OUTLIER 167.92 34.96 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.062 -1.023 . . . . 0.0 109.838 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.2 pt -119.46 157.23 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.092 -1.005 . . . . 0.0 109.559 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.474 HG21 ' CE2' ' A' ' 46' ' ' PHE . 0.7 OUTLIER -104.19 120.78 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.285 -0.884 . . . . 0.0 109.429 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.564 ' O ' ' CD1' ' A' ' 115' ' ' TYR . 2.5 t80 -97.61 111.57 23.79 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.285 -0.884 . . . . 0.0 109.424 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.636 ' N ' ' OD1' ' A' ' 116' ' ' ASP . 2.6 p-10 -160.08 79.17 0.68 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.232 -0.917 . . . . 0.0 109.585 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 171.57 68.75 0.04 OUTLIER Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.433 -1.467 . . . . 0.0 109.433 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -111.42 146.17 37.65 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.204 -1.174 . . . . 0.0 109.584 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -164.54 174.3 40.55 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.95 169.79 16.91 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.232 -1.158 . . . . 0.0 109.605 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.228 -0.92 . . . . 0.0 109.398 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.507 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 22.8 tt0 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.244 0.545 . . . . 0.0 109.698 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 13' ' ' LEU . 2.0 mt-10 -54.53 -57.83 9.83 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.258 -0.902 . . . . 0.0 109.743 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 13' ' ' LEU . 7.3 mt -44.04 -44.96 7.74 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.206 -0.933 . . . . 0.0 109.629 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.2 mt -61.08 -39.18 81.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.152 -0.967 . . . . 0.0 109.513 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.507 ' OE1' ' O ' ' A' ' 11' ' ' GLU . 2.0 mp0 -63.12 -57.06 11.84 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.273 -0.892 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.0 mm -54.52 -29.39 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.247 -0.908 . . . . 0.0 109.505 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.437 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -74.43 -37.3 63.33 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.328 -0.857 . . . . 0.0 109.375 -179.885 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -64.02 -37.98 89.42 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.333 -0.855 . . . . 0.0 109.368 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -72.24 -44.53 62.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.219 -0.926 . . . . 0.0 109.262 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.3 -55.07 38.18 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.354 -0.841 . . . . 0.0 109.265 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 17' ' ' GLN . 1.5 m -47.61 -57.6 5.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.317 -0.865 . . . . 0.0 109.339 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -49.82 -38.23 33.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.302 -0.874 . . . . 0.0 109.473 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -65.88 -41.75 91.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.222 -0.924 . . . . 0.0 109.562 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.481 ' O ' ' C ' ' A' ' 25' ' ' ILE . 86.0 mt -72.3 -63.58 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.189 -0.944 . . . . 0.0 109.511 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.481 ' C ' ' O ' ' A' ' 24' ' ' ILE . 34.6 mm -39.25 -38.4 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.216 -0.928 . . . . 0.0 109.406 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -68.55 -55.03 13.02 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.189 -0.944 . . . . 0.0 109.382 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.46 -48.71 65.68 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.321 -0.862 . . . . 0.0 109.48 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.67 ' O ' ' N ' ' A' ' 32' ' ' GLY . 15.5 mt -55.39 -54.57 42.1 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.181 -0.949 . . . . 0.0 109.263 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.407 HD11 ' N ' ' A' ' 29' ' ' LEU . 7.2 mp -58.03 -19.02 28.07 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.347 -0.845 . . . . 0.0 109.567 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.56 ' O ' ' OD1' ' A' ' 31' ' ' ASP . 20.2 tt0 -81.79 -31.6 31.76 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.13 -0.981 . . . . 0.0 109.582 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.56 ' OD1' ' O ' ' A' ' 30' ' ' GLU . 22.1 m-20 -143.36 29.88 1.41 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.194 -0.941 . . . . 0.0 109.699 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.67 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -173.4 38.74 0.14 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.514 ' O ' ' O ' ' A' ' 32' ' ' GLY . 68.0 m -57.99 -121.43 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.259 -1.142 . . . . 0.0 109.491 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.536 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 3.9 m-20 53.89 49.09 5.46 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.296 -0.878 . . . . 0.0 109.548 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 34' ' ' ASP . 40.6 Cg_endo -70.31 -2.66 10.94 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.746 2.297 . . . . 0.0 112.054 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.641 ' OD1' ' N ' ' A' ' 36' ' ' ASP . 0.2 OUTLIER -88.5 -17.3 30.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.22 -0.925 . . . . 0.0 109.395 179.902 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' A' ' 38' ' ' LEU . . . -71.08 -84.32 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.25 -0.906 . . . . 0.0 109.34 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.407 ' CB ' ' O ' ' A' ' 37' ' ' ALA . 0.9 OUTLIER 169.04 150.44 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.237 -0.914 . . . . 0.0 109.481 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -138.22 157.89 45.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.306 -0.871 . . . . 0.0 109.457 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -119.57 116.04 25.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.305 -0.872 . . . . 0.0 109.462 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.627 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 1.8 mp -85.65 136.87 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.329 -0.857 . . . . 0.0 109.325 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.431 ' OE2' ' CE2' ' A' ' 121' ' ' TYR . 6.3 mt-10 -113.46 126.39 55.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.125 -0.984 . . . . 0.0 109.749 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.5 ' CD2' ' CD1' ' A' ' 104' ' ' LEU . 71.5 m-70 -117.39 129.72 56.03 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.301 -0.874 . . . . 0.0 109.075 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.55 ' ND1' ' O ' ' A' ' 117' ' ' GLY . 26.3 m80 -109.22 134.01 52.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.148 -0.97 . . . . 0.0 109.938 -179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.468 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 5.5 mp -137.05 142.88 42.42 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.458 -0.776 . . . . 0.0 109.249 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.676 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -119.37 157.74 27.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.218 -0.926 . . . . 0.0 109.661 -179.854 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.68 173.72 11.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.333 -0.854 . . . . 0.0 109.533 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.47 ' H ' ' HE3' ' A' ' 52' ' ' LYS . 30.1 mt-10 -109.89 -29.04 8.46 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.282 -0.886 . . . . 0.0 109.588 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.435 ' H ' ' CE ' ' A' ' 52' ' ' LYS . 11.7 t0 -118.8 133.82 55.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.208 -0.933 . . . . 0.0 109.586 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -60.73 -25.02 66.15 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.288 -0.883 . . . . 0.0 109.455 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.83 -74.08 0.08 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.245 -0.91 . . . . 0.0 109.602 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.47 ' HE3' ' H ' ' A' ' 48' ' ' GLU . 19.7 pttt -56.62 -25.37 52.93 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.26 -0.9 . . . . 0.0 109.642 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.9 tt -64.3 -53.9 41.57 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.16 -0.963 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -63.72 -28.24 69.76 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.176 -0.953 . . . . 0.0 109.193 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 111' ' ' PHE . 38.8 mmtt -67.97 -67.84 0.43 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.273 -0.892 . . . . 0.0 109.333 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.54 -48.16 38.74 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.276 -0.89 . . . . 0.0 109.297 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.31 -62.21 1.8 Allowed 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.293 -0.879 . . . . 0.0 109.246 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 50.3 t -49.45 -36.71 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.248 -0.907 . . . . 0.0 109.179 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -51.86 66.55 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.285 -0.885 . . . . 0.0 109.246 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.51 -44.98 95.05 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.314 -0.866 . . . . 0.0 109.204 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -52.16 -35.61 49.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.269 -0.895 . . . . 0.0 109.297 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 63' ' ' MET . 10.0 tttm -71.27 -53.68 13.45 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.239 -0.913 . . . . 0.0 109.364 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 62' ' ' LYS . 33.2 mtm -42.71 -49.26 5.64 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.284 -0.885 . . . . 0.0 109.447 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.05 33.91 0.09 OUTLIER Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.455 ' CZ ' ' HE2' ' A' ' 88' ' ' MET . 54.4 m-85 -107.66 154.27 21.71 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.239 -1.154 . . . . 0.0 109.504 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.58 74.72 3.24 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.257 -0.902 . . . . 0.0 109.228 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 p -46.41 144.8 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.291 -0.881 . . . . 0.0 109.501 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.507 ' O ' ' O ' ' A' ' 69' ' ' GLU . 0.8 OUTLIER -128.38 136.06 50.39 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.294 -0.879 . . . . 0.0 109.353 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.507 ' O ' ' O ' ' A' ' 68' ' ' LEU . 41.6 tt0 -39.6 161.61 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.245 -0.909 . . . . 0.0 109.399 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.443 ' N ' ' HG2' ' A' ' 69' ' ' GLU . . . -104.96 176.88 5.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.178 -0.951 . . . . 0.0 109.765 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 73' ' ' THR . 3.7 tt0 -131.16 120.54 23.46 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.37 -0.832 . . . . 0.0 109.158 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.81 89.25 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.245 -0.91 . . . . 0.0 109.81 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.423 ' H ' HG21 ' A' ' 73' ' ' THR . 2.8 t . . . . . 0 N--CA 1.49 1.575 0 O-C-N 121.306 -0.871 . . . . 0.0 109.308 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.7 mttp . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 pp -136.18 141.8 44.08 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.287 -0.883 . . . . 0.0 109.31 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.575 ' CD1' ' N ' ' A' ' 82' ' ' LEU . 5.5 mp -81.21 130.71 35.15 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.207 -0.933 . . . . 0.0 109.805 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.6 p -123.27 100.74 7.0 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.475 -0.765 . . . . 0.0 109.291 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 45' ' ' LEU . 29.3 p90 -91.86 146.8 23.46 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.314 -0.866 . . . . 0.0 109.45 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.623 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 0.1 OUTLIER -107.48 164.23 12.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.239 -0.913 . . . . 0.0 109.685 -179.728 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -143.01 128.61 19.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.355 -0.841 . . . . 0.0 109.158 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.55 139.44 43.31 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.153 -0.967 . . . . 0.0 109.792 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.455 ' HE2' ' CZ ' ' A' ' 65' ' ' PHE . 0.8 OUTLIER -131.0 100.27 5.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.367 -0.833 . . . . 0.0 109.112 179.709 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -67.69 122.72 18.68 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.217 -0.927 . . . . 0.0 109.793 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 93.3 p -165.46 170.74 14.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.338 -0.851 . . . . 0.0 109.302 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.12 -179.11 0.27 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.173 -0.954 . . . . 0.0 109.512 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.7 tp -107.74 98.44 8.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.247 -0.908 . . . . 0.0 109.613 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.469 ' O ' ' C ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -142.08 107.41 5.01 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.198 -0.939 . . . . 0.0 109.282 179.769 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.535 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -38.67 -73.2 0.05 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.207 -0.933 . . . . 0.0 109.661 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.535 ' C ' ' O ' ' A' ' 94' ' ' ALA . 15.7 mmtt -32.73 -60.0 0.32 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.407 -0.808 . . . . 0.0 109.902 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.4 tp -49.77 -45.02 49.16 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.175 -0.953 . . . . 0.0 109.362 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.52 ' N ' ' O ' ' A' ' 94' ' ' ALA . 43.7 mt -59.03 -25.33 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.221 -0.925 . . . . 0.0 109.213 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -74.37 -42.23 59.66 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.254 -0.904 . . . . 0.0 109.242 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -63.97 -39.09 93.35 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.217 -0.927 . . . . 0.0 109.282 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -71.6 -48.89 45.16 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.292 -0.88 . . . . 0.0 109.234 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.3 t -57.4 -49.29 80.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.183 -0.948 . . . . 0.0 109.091 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -56.51 -44.11 80.41 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.2 -0.937 . . . . 0.0 108.954 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -57.12 -43.81 82.7 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.436 -0.79 . . . . 0.0 108.884 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.5 ' CD1' ' CD2' ' A' ' 43' ' ' HIS . 43.4 mt -66.72 -26.99 67.27 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.356 -0.84 . . . . 0.0 109.014 179.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' A' ' 106' ' ' ASN . 2.8 t -72.15 -68.1 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.342 -0.849 . . . . 0.0 109.233 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 105' ' ' VAL . 69.1 m-80 -43.93 -35.69 2.12 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.235 -0.915 . . . . 0.0 109.128 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 110' ' ' LYS . 6.4 tp -69.95 -55.36 9.84 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.408 -0.808 . . . . 0.0 109.554 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 107' ' ' LEU . . . -44.36 -53.74 6.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.272 -0.893 . . . . 0.0 109.516 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -67.77 -23.12 65.19 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.241 -0.912 . . . . 0.0 109.447 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 107' ' ' LEU . 4.1 ttpp -63.55 -33.61 75.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.268 -0.895 . . . . 0.0 109.492 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.538 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 4.5 m-85 -102.36 -77.07 0.56 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.253 -0.904 . . . . 0.0 109.493 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.538 ' OD1' ' O ' ' A' ' 111' ' ' PHE . 0.8 OUTLIER 168.45 32.93 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.325 -0.859 . . . . 0.0 109.361 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 12.9 pt -117.18 -179.9 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.273 -0.892 . . . . 0.0 109.339 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.1 tt -124.52 150.81 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.235 -0.915 . . . . 0.0 109.844 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.625 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 6.7 t80 -125.13 92.11 3.57 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.329 -0.857 . . . . 0.0 109.116 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -140.9 64.57 1.42 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.267 -0.895 . . . . 0.0 109.687 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.55 ' O ' ' ND1' ' A' ' 44' ' ' HIS . . . 177.53 84.78 0.06 OUTLIER Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.92 -1.272 . . . . 0.0 109.92 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -120.44 147.73 44.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.228 -1.16 . . . . 0.0 109.09 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.95 152.83 23.35 Favored Glycine 0 N--CA 1.491 2.329 0 C-N-CA 119.652 -1.261 . . . . 0.0 110.016 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 6.0 t -134.65 158.37 44.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.364 -1.08 . . . . 0.0 109.347 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.431 ' CE2' ' OE2' ' A' ' 42' ' ' GLU . 45.7 m-85 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.192 -0.943 . . . . 0.0 109.557 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 13' ' ' LEU . 1.2 mt-10 -75.09 -58.73 3.1 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.207 -0.933 . . . . 0.0 109.343 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 12' ' ' GLU . 14.6 mt -45.18 -40.7 7.47 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.203 -0.936 . . . . 0.0 109.28 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.721 ' CG2' ' HZ2' ' A' ' 18' ' ' LYS . 43.1 mt -64.35 -68.9 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.232 -0.917 . . . . 0.0 109.33 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.544 ' C ' ' O ' ' A' ' 14' ' ' ILE . 3.8 mm-40 -35.68 -42.25 0.24 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.252 -0.905 . . . . 0.0 109.396 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 32.7 mt -67.43 -62.02 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.179 -0.95 . . . . 0.0 109.332 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.417 ' O ' ' OG1' ' A' ' 21' ' ' THR . 31.2 mm100 -46.29 -36.95 6.73 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.125 -0.985 . . . . 0.0 109.186 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.721 ' HZ2' ' CG2' ' A' ' 14' ' ' ILE . 20.7 mttp -60.93 -63.64 1.23 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.217 -0.927 . . . . 0.0 109.032 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.663 ' N ' HH21 ' A' ' 22' ' ' ARG . 3.5 tt0 -49.51 -60.77 2.56 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.361 -0.837 . . . . 0.0 109.215 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 23' ' ' ASP . 15.1 tt0 -45.62 -64.84 0.64 Allowed 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.247 -0.908 . . . . 0.0 109.163 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 20' ' ' GLU . 47.9 m -38.45 -65.49 0.34 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.38 -0.825 . . . . 0.0 109.416 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.663 HH21 ' N ' ' A' ' 19' ' ' GLU . 13.3 mtm180 -43.25 -35.3 1.4 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.279 -0.888 . . . . 0.0 109.192 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 20' ' ' GLU . 7.0 t0 -59.93 -48.05 83.28 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.355 -0.841 . . . . 0.0 109.358 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.468 ' O ' ' C ' ' A' ' 25' ' ' ILE . 54.4 mt -66.69 -59.68 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.271 -0.893 . . . . 0.0 109.317 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.468 ' C ' ' O ' ' A' ' 24' ' ' ILE . 5.4 mm -40.53 -51.03 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.202 -0.936 . . . . 0.0 109.266 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -52.86 -50.82 63.03 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.234 -0.916 . . . . 0.0 109.481 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.507 ' O ' ' OD1' ' A' ' 31' ' ' ASP . . . -59.46 -69.28 0.21 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.203 -0.936 . . . . 0.0 109.463 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.502 ' C ' ' O ' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -36.93 -36.4 0.12 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.324 -0.86 . . . . 0.0 109.314 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' ALA . 1.6 mp -71.49 -46.81 58.81 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.277 -0.889 . . . . 0.0 109.375 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 27' ' ' ALA . 4.5 tt0 -62.89 -32.44 73.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.303 -0.873 . . . . 0.0 109.361 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.662 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -64.72 -29.91 70.9 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.331 -0.856 . . . . 0.0 109.552 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.95 21.91 6.84 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.461 -1.455 . . . . 0.0 109.461 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m -55.86 -170.98 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.295 -1.12 . . . . 0.0 109.576 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -143.96 87.6 7.96 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.295 -0.878 . . . . 0.0 109.52 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.463 ' C ' ' H ' ' A' ' 37' ' ' ALA . 52.3 Cg_exo -51.56 -34.64 53.15 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.968 2.445 . . . . 0.0 112.423 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -71.74 11.55 0.49 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.139 -0.976 . . . . 0.0 109.733 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.463 ' H ' ' C ' ' A' ' 35' ' ' PRO . . . -109.7 13.82 23.58 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.157 -0.965 . . . . 0.0 109.646 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 64.6 143.48 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.226 -0.922 . . . . 0.0 109.435 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -131.44 150.5 52.13 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.211 -0.93 . . . . 0.0 109.478 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.423 ' HB3' HE21 ' A' ' 89' ' ' GLN . 1.2 mp0 -104.99 120.18 40.83 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.309 -0.87 . . . . 0.0 109.208 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.8 mm -93.22 137.98 21.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.195 -0.941 . . . . 0.0 109.542 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.32 137.01 52.13 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.21 -0.931 . . . . 0.0 109.402 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -129.57 126.36 38.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.23 -0.919 . . . . 0.0 109.594 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -106.05 113.78 27.53 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.276 -0.89 . . . . 0.0 109.403 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.488 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 1.4 mp -118.91 148.12 43.27 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.229 -0.919 . . . . 0.0 109.567 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.508 ' CD1' ' N ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -133.43 159.77 39.37 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.362 -0.836 . . . . 0.0 109.425 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.49 160.42 40.32 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.308 -0.87 . . . . 0.0 109.609 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -97.81 -12.46 22.18 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.281 -0.887 . . . . 0.0 109.368 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -117.9 124.41 48.21 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.272 -0.893 . . . . 0.0 109.421 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.751 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -59.92 -28.99 68.07 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.212 -0.93 . . . . 0.0 109.307 179.861 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.86 -45.72 49.3 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.331 -0.856 . . . . 0.0 109.099 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -19.91 66.2 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.326 -0.859 . . . . 0.0 108.915 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.6 tt -74.99 -53.43 8.95 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.409 -0.807 . . . . 0.0 109.363 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -61.91 -36.41 81.27 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.339 -0.85 . . . . 0.0 109.562 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -63.97 -64.45 0.89 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.267 -0.896 . . . . 0.0 109.728 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.48 -50.35 72.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.254 -0.904 . . . . 0.0 109.789 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.52 -45.97 69.96 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.213 -0.93 . . . . 0.0 109.586 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.3 t -52.63 -62.49 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.25 -0.906 . . . . 0.0 109.538 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.44 ' OE2' ' CD1' ' A' ' 107' ' ' LEU . 3.2 tt0 -50.01 -25.05 3.0 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.206 -0.934 . . . . 0.0 109.618 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.65 -49.24 41.79 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.22 -0.925 . . . . 0.0 109.67 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.603 ' C ' ' CD1' ' A' ' 61' ' ' PHE . 1.5 t80 -63.75 -32.58 74.13 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.276 -0.89 . . . . 0.0 109.615 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -69.46 -33.53 73.04 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.157 -0.964 . . . . 0.0 109.59 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 8.1 mtm -72.13 -47.11 53.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.295 -0.878 . . . . 0.0 109.591 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 146.62 15.23 0.16 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 67' ' ' VAL . 77.5 m-85 -97.01 112.38 24.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.26 -1.141 . . . . 0.0 109.422 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -59.45 84.63 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.272 -0.892 . . . . 0.0 109.406 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.477 ' N ' ' O ' ' A' ' 65' ' ' PHE . 5.0 p -63.1 137.55 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.398 -0.813 . . . . 0.0 109.655 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.63 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.5 OUTLIER -114.81 139.88 49.38 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.211 -0.93 . . . . 0.0 109.252 179.668 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.569 ' CD ' ' H ' ' A' ' 70' ' ' ALA . 15.7 tp10 -47.83 150.88 0.99 Allowed 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.263 -0.898 . . . . 0.0 109.412 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.569 ' H ' ' CD ' ' A' ' 69' ' ' GLU . . . -102.61 162.91 12.55 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.253 -0.904 . . . . 0.0 109.66 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -125.13 139.56 53.66 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.397 -0.814 . . . . 0.0 109.165 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.578 ' OE2' ' N ' ' A' ' 72' ' ' GLU . 1.1 pm0 -61.12 121.73 13.22 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.285 -0.884 . . . . 0.0 109.681 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.5 t . . . . . 0 N--CA 1.489 1.505 0 O-C-N 121.225 -0.922 . . . . 0.0 109.263 179.777 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.518 ' CD1' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -129.46 165.47 21.54 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.206 -0.934 . . . . 0.0 109.644 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.468 ' CD1' ' N ' ' A' ' 82' ' ' LEU . 8.1 mp -107.55 139.89 41.39 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.317 -0.864 . . . . 0.0 109.419 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.422 ' N ' ' HB2' ' A' ' 70' ' ' ALA . 2.3 t -125.45 107.73 10.95 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.254 -0.903 . . . . 0.0 109.832 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.625 ' N ' ' CD1' ' A' ' 84' ' ' PHE . 0.8 OUTLIER -93.27 151.33 19.87 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.29 -0.881 . . . . 0.0 108.985 179.393 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.63 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -103.79 150.6 23.95 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.117 -0.989 . . . . 0.0 109.702 -179.735 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -130.24 140.15 50.73 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.399 -0.813 . . . . 0.0 109.427 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.9 143.74 50.69 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.232 -0.917 . . . . 0.0 109.537 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.13 115.76 5.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.222 -0.924 . . . . 0.0 109.518 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.423 HE21 ' HB3' ' A' ' 40' ' ' GLU . 6.2 mp0 -76.09 133.77 40.2 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.224 -0.923 . . . . 0.0 109.416 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.561 ' HG ' HE22 ' A' ' 100' ' ' GLN . 9.3 p -167.58 161.73 13.83 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.157 -0.965 . . . . 0.0 109.485 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.83 133.74 49.72 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.209 -0.932 . . . . 0.0 109.467 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.48 85.01 0.1 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.23 -0.919 . . . . 0.0 109.382 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.24 126.4 31.46 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.173 -0.954 . . . . 0.0 109.525 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -46.0 -59.82 2.63 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.201 -0.937 . . . . 0.0 109.463 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 94' ' ' ALA . 2.0 mmtp -44.57 -48.53 10.31 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.257 -0.902 . . . . 0.0 109.494 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 mp -58.5 -55.77 30.8 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.173 -0.955 . . . . 0.0 109.645 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 56.6 mt -57.14 -23.05 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.295 -0.878 . . . . 0.0 109.774 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -67.96 -54.83 15.61 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.137 -0.977 . . . . 0.0 109.392 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -67.68 -35.83 79.56 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.204 -0.935 . . . . 0.0 109.455 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.561 HE22 ' HG ' ' A' ' 90' ' ' SER . 0.6 OUTLIER -60.18 -50.94 71.68 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.242 -0.911 . . . . 0.0 109.438 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.444 HG22 ' HH ' ' A' ' 115' ' ' TYR . 91.4 t -64.24 -44.42 97.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.325 -0.86 . . . . 0.0 109.617 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -56.47 -29.31 61.59 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.185 -0.947 . . . . 0.0 109.468 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -72.6 -46.84 52.28 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.238 -0.914 . . . . 0.0 109.54 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.7 mt -67.97 -38.82 83.21 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.186 -0.946 . . . . 0.0 109.506 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.3 t -66.75 -36.88 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.263 -0.898 . . . . 0.0 109.23 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -65.66 -59.14 4.23 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.22 -0.925 . . . . 0.0 109.29 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.44 ' CD1' ' OE2' ' A' ' 59' ' ' GLU . 1.6 tp -57.99 -35.91 71.89 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.286 -0.884 . . . . 0.0 109.142 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.06 -58.22 6.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.29 -0.881 . . . . 0.0 109.735 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.84 -19.41 62.56 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.213 -0.929 . . . . 0.0 109.782 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -82.11 -23.81 35.48 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.202 -0.936 . . . . 0.0 109.679 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.558 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 0.6 OUTLIER -99.31 -77.34 0.52 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.108 -0.995 . . . . 0.0 109.879 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.558 ' OD1' ' O ' ' A' ' 111' ' ' PHE . 3.2 m-20 162.49 36.9 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.104 -0.997 . . . . 0.0 109.55 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 16.7 pt -120.46 172.8 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.302 -0.874 . . . . 0.0 109.189 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.5 tt -112.89 135.01 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.158 -0.964 . . . . 0.0 109.519 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.641 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 20.4 t80 -106.93 89.61 3.05 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.198 -0.939 . . . . 0.0 109.412 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -146.2 78.19 1.51 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.24 -0.912 . . . . 0.0 109.55 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 170.48 62.66 0.04 OUTLIER Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.908 -1.277 . . . . 0.0 109.908 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.672 ' CE3' ' N ' ' A' ' 119' ' ' GLY . 2.3 p-90 -112.41 164.85 12.77 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.159 -1.201 . . . . 0.0 109.165 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.672 ' N ' ' CE3' ' A' ' 118' ' ' TRP . . . 168.5 159.61 14.52 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -116.18 166.11 12.4 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.36 -1.082 . . . . 0.0 109.372 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.518 0 O-C-N 121.187 -0.945 . . . . 0.0 109.468 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -68.46 -43.6 76.65 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.321 -0.862 . . . . 0.0 109.386 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.0 mt -63.78 -62.14 1.84 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.39 -0.819 . . . . 0.0 109.552 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 27.8 mt -49.84 -51.83 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.241 -0.912 . . . . 0.0 109.771 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -44.54 -64.31 0.72 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.305 -0.872 . . . . 0.0 109.948 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.526 ' O ' ' C ' ' A' ' 17' ' ' GLN . 72.1 mt -59.72 -59.9 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.162 -0.961 . . . . 0.0 109.735 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.526 ' C ' ' O ' ' A' ' 16' ' ' ILE . 29.6 mt-30 -35.96 -35.28 0.06 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.187 -0.946 . . . . 0.0 109.571 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.5 ' O ' ' C ' ' A' ' 19' ' ' GLU . 62.9 mttt -72.24 -67.85 0.51 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.267 -0.896 . . . . 0.0 109.29 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.5 ' C ' ' O ' ' A' ' 18' ' ' LYS . 5.8 mt-10 -39.66 -35.77 0.35 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.225 -0.922 . . . . 0.0 109.187 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 23' ' ' ASP . 12.2 mm-40 -67.8 -64.96 0.75 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.363 -0.836 . . . . 0.0 109.314 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.507 ' C ' ' O ' ' A' ' 20' ' ' GLU . 32.0 m -37.56 -46.29 0.83 Allowed 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.255 -0.903 . . . . 0.0 109.208 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.689 ' CG ' HH11 ' A' ' 22' ' ' ARG . 0.7 OUTLIER -59.71 -40.31 87.55 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.248 -0.908 . . . . 0.0 109.362 179.823 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.556 ' N ' ' O ' ' A' ' 20' ' ' GLU . 22.4 t0 -61.07 -44.49 97.29 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.313 -0.867 . . . . 0.0 109.281 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 70.9 mt -67.13 -64.25 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.254 -0.904 . . . . 0.0 109.378 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.6 mp -46.28 -37.71 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.247 -0.908 . . . . 0.0 109.274 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.551 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -61.43 -42.9 99.47 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.284 -0.885 . . . . 0.0 109.38 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.16 -50.78 64.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.34 -0.85 . . . . 0.0 109.399 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.4 mt -54.16 -62.02 1.93 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.218 -0.926 . . . . 0.0 109.341 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -48.65 -50.01 34.88 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.152 -0.967 . . . . 0.0 109.017 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.562 ' O ' ' OE2' ' A' ' 30' ' ' GLU . 6.5 tp10 -51.61 -40.58 60.13 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.312 -0.868 . . . . 0.0 109.27 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.22 -48.49 81.26 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.295 -0.878 . . . . 0.0 109.441 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 131.5 14.7 1.7 Allowed Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.1 164.31 26.78 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.195 -1.18 . . . . 0.0 109.439 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.31 156.06 80.55 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.144 -0.972 . . . . 0.0 109.68 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -70.36 4.61 2.35 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.884 2.389 . . . . 0.0 111.966 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 36' ' ' ASP . 0.7 OUTLIER -92.03 -6.63 50.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.29 -0.881 . . . . 0.0 109.559 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -98.99 11.88 37.65 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.246 -0.909 . . . . 0.0 109.687 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.443 ' O ' ' CD1' ' A' ' 39' ' ' TYR . 3.8 mm? 54.43 171.6 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.123 -0.986 . . . . 0.0 109.542 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.459 ' CD1' ' HB2' ' A' ' 92' ' ' LEU . 1.5 m-85 -154.28 150.61 28.19 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.204 -0.935 . . . . 0.0 109.412 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.605 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 4.6 mp0 -104.7 119.93 40.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.202 -0.936 . . . . 0.0 109.72 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.444 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 2.0 mp -106.27 128.08 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.337 -0.852 . . . . 0.0 109.139 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -116.76 135.54 53.67 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.121 -0.987 . . . . 0.0 109.875 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.444 ' ND1' ' HB2' ' A' ' 118' ' ' TRP . 90.3 m-70 -116.89 149.63 39.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.335 -0.853 . . . . 0.0 109.152 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 44.3 m170 -118.02 131.67 56.45 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.21 -0.931 . . . . 0.0 109.811 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.638 ' N ' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -141.66 132.65 26.05 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.289 -0.882 . . . . 0.0 109.365 179.761 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.74 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -125.45 163.58 22.34 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.206 -0.934 . . . . 0.0 109.475 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.12 166.61 29.27 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.259 -0.9 . . . . 0.0 109.573 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -103.63 -34.0 8.78 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.243 -0.911 . . . . 0.0 109.404 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.658 ' H ' ' HZ1' ' A' ' 52' ' ' LYS . 92.3 m-20 -99.53 109.73 22.24 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.352 -0.843 . . . . 0.0 109.318 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -50.31 -22.8 1.95 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.216 -0.928 . . . . 0.0 109.678 -179.81 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -60.04 -67.36 0.4 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.144 -0.972 . . . . 0.0 109.67 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.658 ' HZ1' ' H ' ' A' ' 49' ' ' ASP . 5.5 pttt -60.92 -32.56 72.04 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.256 -0.902 . . . . 0.0 109.814 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.3 tt -55.4 -43.95 75.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.301 -0.874 . . . . 0.0 109.79 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.09 -46.73 61.23 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.136 -0.978 . . . . 0.0 109.766 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 111' ' ' PHE . 7.4 mtpp -57.29 -43.26 83.02 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.217 -0.927 . . . . 0.0 109.829 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.39 -37.61 80.55 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.195 -0.941 . . . . 0.0 109.904 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.85 -49.28 68.73 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.133 -0.98 . . . . 0.0 109.67 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.5 t -53.69 -61.78 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.262 -0.899 . . . . 0.0 109.621 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -47.07 -45.14 21.61 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.284 -0.885 . . . . 0.0 109.66 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.411 ' HA ' ' SD ' ' A' ' 63' ' ' MET . . . -57.72 -45.22 86.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.175 -0.953 . . . . 0.0 109.497 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.422 ' C ' ' CD1' ' A' ' 61' ' ' PHE . 21.8 t80 -55.84 -41.31 74.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.239 -0.913 . . . . 0.0 109.55 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.6 tttm -74.78 -24.43 58.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.235 -0.916 . . . . 0.0 109.459 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.411 ' SD ' ' HA ' ' A' ' 60' ' ' ALA . 19.8 mtp -75.19 -42.86 54.78 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.265 -0.897 . . . . 0.0 109.494 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.69 ' O ' ' CG ' ' A' ' 65' ' ' PHE . . . 133.9 75.27 0.09 OUTLIER Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.69 ' CG ' ' O ' ' A' ' 64' ' ' GLY . 97.3 m-85 -164.23 108.37 0.96 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.235 -1.156 . . . . 0.0 109.527 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 87' ' ' THR . 2.7 mm-40 -58.03 85.11 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.149 -0.969 . . . . 0.0 109.194 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.509 ' N ' ' O ' ' A' ' 65' ' ' PHE . 2.1 p -60.91 140.2 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.27 -0.894 . . . . 0.0 109.967 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 tp -119.84 146.02 46.11 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.318 -0.864 . . . . 0.0 109.256 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.469 ' HG3' ' H ' ' A' ' 70' ' ' ALA . 6.5 tt0 -48.02 158.9 0.21 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.288 -0.883 . . . . 0.0 109.836 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.469 ' H ' ' HG3' ' A' ' 69' ' ' GLU . . . -100.48 169.67 8.92 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.392 -0.817 . . . . 0.0 109.385 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.543 ' O ' ' C ' ' A' ' 72' ' ' GLU . 4.5 tt0 -135.65 109.62 8.2 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.282 -0.886 . . . . 0.0 109.575 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.547 ' CD ' ' O ' ' A' ' 72' ' ' GLU . 1.4 pp20? -35.55 112.32 0.16 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.396 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.173 -0.954 . . . . 0.0 109.529 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.0 tttp . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 pp -127.77 168.81 14.61 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.209 -0.932 . . . . 0.0 109.477 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 mp -101.76 137.89 39.46 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.249 -0.907 . . . . 0.0 109.638 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.456 ' H ' ' HB2' ' A' ' 70' ' ' ALA . 0.1 OUTLIER -135.68 99.89 4.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.319 -0.863 . . . . 0.0 109.563 -179.849 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.556 ' N ' ' CD1' ' A' ' 84' ' ' PHE . 2.0 p90 -91.53 159.55 15.87 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.069 -1.02 . . . . 0.0 109.179 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -111.07 168.38 9.54 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.169 -0.957 . . . . 0.0 109.983 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -142.47 115.18 8.62 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.427 -0.796 . . . . 0.0 109.301 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -98.8 153.52 18.7 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.276 -0.89 . . . . 0.0 109.461 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.4 tpt -156.88 103.4 2.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.255 -0.903 . . . . 0.0 109.424 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.35 120.41 15.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.257 -0.902 . . . . 0.0 109.281 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 91' ' ' ALA . 1.0 OUTLIER -155.2 155.02 33.15 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.186 -0.946 . . . . 0.0 109.603 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 90' ' ' SER . . . -53.32 -173.36 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.193 -0.942 . . . . 0.0 109.382 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.459 ' HB2' ' CD1' ' A' ' 39' ' ' TYR . 4.1 tp -113.02 110.13 19.98 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.284 -0.885 . . . . 0.0 109.53 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -159.36 122.94 3.74 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.236 -0.915 . . . . 0.0 109.463 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.8 -45.15 67.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.314 -0.866 . . . . 0.0 109.385 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.594 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.8 OUTLIER -57.06 -67.77 0.29 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.223 -0.923 . . . . 0.0 109.455 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 95' ' ' LYS . 0.2 OUTLIER -41.76 -50.36 4.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.206 -0.934 . . . . 0.0 109.374 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 45.6 mt -62.92 -20.58 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.333 -0.855 . . . . 0.0 109.545 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.594 ' N ' ' O ' ' A' ' 95' ' ' LYS . 33.0 t0 -72.92 -39.6 66.15 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.187 -0.946 . . . . 0.0 109.378 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.63 -45.76 28.7 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.256 -0.902 . . . . 0.0 109.266 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -54.25 -50.31 67.51 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.245 -0.909 . . . . 0.0 109.225 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.481 ' O ' ' C ' ' A' ' 102' ' ' GLU . 70.9 t -61.87 -58.82 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.322 -0.862 . . . . 0.0 109.121 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.587 ' OE2' ' ND2' ' A' ' 106' ' ' ASN . 1.5 tm-20 -41.06 -41.52 1.73 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.258 -0.901 . . . . 0.0 109.098 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -62.06 -43.32 99.09 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.276 -0.89 . . . . 0.0 109.262 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 101' ' ' VAL . 21.9 mt -64.16 -63.78 1.06 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.304 -0.872 . . . . 0.0 109.278 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.2 t -44.74 -36.85 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.31 -0.869 . . . . 0.0 109.501 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.587 ' ND2' ' OE2' ' A' ' 102' ' ' GLU . 11.3 m-80 -63.34 -51.15 67.14 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.247 -0.908 . . . . 0.0 109.461 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 110' ' ' LYS . 15.7 tp -66.14 -53.31 39.34 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.257 -0.902 . . . . 0.0 109.406 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 107' ' ' LEU . . . -44.98 -44.08 9.58 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.298 -0.876 . . . . 0.0 109.576 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -79.01 -16.86 56.31 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.301 -0.875 . . . . 0.0 109.562 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 107' ' ' LEU . 2.6 tmtm? -75.25 -26.79 59.14 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.293 -0.879 . . . . 0.0 109.768 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.473 ' O ' ' CG ' ' A' ' 112' ' ' ASP . 5.5 m-85 -100.44 -77.41 0.53 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.1 -1.0 . . . . 0.0 109.776 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.473 ' CG ' ' O ' ' A' ' 111' ' ' PHE . 0.9 OUTLIER 167.23 34.13 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.971 -1.08 . . . . 0.0 109.921 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.7 pt -118.28 167.92 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.052 -1.03 . . . . 0.0 109.519 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -112.78 101.14 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.321 -0.862 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.594 ' C ' ' CD1' ' A' ' 115' ' ' TYR . 0.2 OUTLIER -91.72 113.53 25.82 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.347 -0.846 . . . . 0.0 109.486 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.576 ' N ' ' OD1' ' A' ' 116' ' ' ASP . 12.2 p-10 -160.84 80.03 0.63 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.233 -0.917 . . . . 0.0 109.424 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 170.87 84.61 0.06 OUTLIER Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.444 ' HB2' ' ND1' ' A' ' 43' ' ' HIS . 8.8 p-90 -120.0 151.02 39.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.242 -1.152 . . . . 0.0 109.549 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -164.26 159.86 32.78 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.577 ' OG1' ' O ' ' A' ' 40' ' ' GLU . 2.3 t -133.47 167.33 20.63 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.128 -1.219 . . . . 0.0 109.586 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.524 ' N ' ' CD1' ' A' ' 121' ' ' TYR . 10.4 m-85 . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.241 -0.912 . . . . 0.0 109.432 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.264 0.554 . . . . 0.0 109.708 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.51 ' O ' ' C ' ' A' ' 13' ' ' LEU . 2.7 mm-40 -74.83 -65.76 0.83 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.16 -0.963 . . . . 0.0 109.511 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.51 ' C ' ' O ' ' A' ' 12' ' ' GLU . 1.4 mt -37.25 -37.46 0.18 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.269 -0.894 . . . . 0.0 109.712 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.0 mt -68.9 -55.49 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.151 -0.968 . . . . 0.0 109.58 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.43 -53.87 39.62 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.24 -0.913 . . . . 0.0 109.492 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 67.3 mt -48.61 -58.91 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.25 -0.906 . . . . 0.0 109.788 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.457 ' O ' ' C ' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -51.14 -53.37 35.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.321 -0.862 . . . . 0.0 109.707 -179.614 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 17' ' ' GLN . 14.3 mtmt -40.66 -50.02 3.04 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.207 -0.933 . . . . 0.0 109.982 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -72.46 -49.98 29.45 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.224 -0.922 . . . . 0.0 110.006 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -49.75 -60.09 3.21 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.167 -0.958 . . . . 0.0 109.891 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.535 ' O ' ' N ' ' A' ' 24' ' ' ILE . 5.5 m -53.0 -60.43 3.29 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.233 -0.917 . . . . 0.0 109.656 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.532 ' C ' ' O ' ' A' ' 21' ' ' THR . 6.6 mmm180 -35.89 -45.99 0.44 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.154 -0.966 . . . . 0.0 109.528 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -61.49 -42.48 98.85 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.253 -0.904 . . . . 0.0 109.383 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.535 ' N ' ' O ' ' A' ' 21' ' ' THR . 27.8 mt -66.39 -66.92 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.293 -0.879 . . . . 0.0 109.566 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.2 mm -44.09 -33.3 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.152 -0.968 . . . . 0.0 109.488 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 14.6 mm-40 -69.19 -61.25 1.87 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.276 -0.89 . . . . 0.0 109.394 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.71 -49.61 19.2 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.282 -0.886 . . . . 0.0 109.447 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.523 ' O ' ' C ' ' A' ' 29' ' ' LEU . 5.0 mp -59.05 -70.82 0.14 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.23 -0.919 . . . . 0.0 109.442 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.523 ' C ' ' O ' ' A' ' 28' ' ' LEU . 15.1 mt -36.53 -53.35 0.87 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.256 -0.903 . . . . 0.0 109.523 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -53.35 -41.3 65.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.276 -0.89 . . . . 0.0 109.635 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 28' ' ' LEU . 2.1 t0 -56.56 -27.98 59.04 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.208 -0.932 . . . . 0.0 109.508 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.36 -1.8 16.26 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.8 t -72.98 114.44 11.13 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.307 -1.114 . . . . 0.0 109.42 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.82 153.21 39.48 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.199 -0.938 . . . . 0.0 109.418 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.498 ' C ' ' H ' ' A' ' 37' ' ' ALA . 19.6 Cg_endo -61.59 -21.07 71.12 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.837 2.358 . . . . 0.0 112.213 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -57.08 -5.22 0.24 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.307 -0.871 . . . . 0.0 109.461 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.498 ' H ' ' C ' ' A' ' 35' ' ' PRO . . . -109.7 14.92 23.13 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.282 -0.886 . . . . 0.0 109.345 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.487 ' O ' ' O ' ' A' ' 37' ' ' ALA . 3.1 mt 55.9 160.43 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.288 -0.882 . . . . 0.0 109.729 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -154.64 147.26 24.2 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.327 -0.858 . . . . 0.0 109.202 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -108.73 143.9 37.24 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.188 -0.945 . . . . 0.0 109.72 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.447 HG21 ' N ' ' A' ' 42' ' ' GLU . 4.6 mp -126.15 160.42 33.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.338 -0.851 . . . . 0.0 109.282 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.447 ' N ' HG21 ' A' ' 41' ' ' ILE . 85.9 tt0 -142.68 136.58 29.18 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.127 -0.983 . . . . 0.0 109.698 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -115.62 150.73 36.22 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.288 -0.883 . . . . 0.0 109.329 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -119.0 120.23 36.62 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.259 -0.901 . . . . 0.0 109.322 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.471 ' HB2' ' CE2' ' A' ' 84' ' ' PHE . 1.5 mp -128.3 140.38 51.91 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.2 -0.938 . . . . 0.0 109.629 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.578 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -130.88 155.15 47.23 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.275 -0.891 . . . . 0.0 109.503 179.805 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -135.42 179.14 6.51 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.324 -0.86 . . . . 0.0 109.475 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -121.21 -15.89 8.07 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.227 -0.92 . . . . 0.0 109.561 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.545 ' O ' ' C ' ' A' ' 50' ' ' PHE . 7.9 t0 -113.63 103.86 11.66 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.21 -0.931 . . . . 0.0 109.484 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.545 ' C ' ' O ' ' A' ' 49' ' ' ASP . 0.3 OUTLIER -35.07 -44.8 0.25 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.243 -0.911 . . . . 0.0 109.655 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.05 -52.92 62.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.236 -0.915 . . . . 0.0 109.694 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.472 ' NZ ' ' OD2' ' A' ' 112' ' ' ASP . 0.6 OUTLIER -64.44 -16.8 63.05 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.28 -0.888 . . . . 0.0 109.601 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.0 tt -80.02 -59.97 2.52 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.231 -0.918 . . . . 0.0 109.568 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -60.6 -18.97 56.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.202 -0.936 . . . . 0.0 109.547 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -80.75 -49.94 10.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.172 -0.955 . . . . 0.0 109.469 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.43 -31.99 70.68 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.172 -0.955 . . . . 0.0 109.255 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.92 -58.35 5.16 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.346 -0.847 . . . . 0.0 109.343 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.1 t -49.48 -55.04 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.317 -0.864 . . . . 0.0 109.174 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -46.89 -44.66 19.88 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.328 -0.857 . . . . 0.0 109.228 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.1 -34.86 72.5 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.31 -0.869 . . . . 0.0 109.304 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.76 -40.21 76.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.314 -0.866 . . . . 0.0 109.242 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -58.82 -35.92 73.67 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.24 -0.913 . . . . 0.0 109.489 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.59 -59.48 3.91 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.244 -0.91 . . . . 0.0 109.573 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 159.35 11.57 0.04 OUTLIER Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -92.14 137.42 32.38 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.261 -1.141 . . . . 0.0 109.35 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.04 84.11 7.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.211 -0.931 . . . . 0.0 109.343 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.4 p -51.62 150.05 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.349 -0.844 . . . . 0.0 109.64 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.636 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.6 OUTLIER -128.12 141.33 51.52 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.337 -0.852 . . . . 0.0 109.212 179.724 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 68' ' ' LEU . 2.1 tt0 -40.43 144.5 0.23 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.308 -0.87 . . . . 0.0 109.858 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.72 179.95 5.08 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.411 -0.806 . . . . 0.0 109.308 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 73' ' ' THR . 20.4 tt0 -152.56 117.62 5.17 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.269 -0.895 . . . . 0.0 109.499 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 71' ' ' GLU . 2.9 mt-10 -44.3 100.17 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.232 -0.918 . . . . 0.0 109.419 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 71' ' ' GLU . 11.1 t . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.248 -0.907 . . . . 0.0 109.344 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.4 166.53 10.69 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.22 -0.925 . . . . 0.0 109.675 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.451 HD11 ' N ' ' A' ' 82' ' ' LEU . 6.9 mp -105.26 127.76 53.1 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.245 -0.909 . . . . 0.0 109.227 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 9.9 t -126.33 113.2 16.61 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.313 -0.867 . . . . 0.0 110.012 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.658 ' N ' ' CD1' ' A' ' 84' ' ' PHE . 0.3 OUTLIER -96.63 154.42 17.29 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.244 -0.91 . . . . 0.0 108.779 179.31 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.636 ' O ' ' N ' ' A' ' 68' ' ' LEU . 1.2 m-20 -108.52 149.25 29.09 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.125 -0.984 . . . . 0.0 110.152 -179.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -130.8 129.24 42.15 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.475 -0.766 . . . . 0.0 109.008 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.29 155.67 21.76 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.107 -0.996 . . . . 0.0 109.985 -179.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.499 ' SD ' ' NE2' ' A' ' 100' ' ' GLN . 6.0 ttm -151.57 120.5 6.63 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.509 -0.745 . . . . 0.0 109.155 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.97 127.48 39.78 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.283 -0.886 . . . . 0.0 109.546 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.472 ' OG ' ' N ' ' A' ' 91' ' ' ALA . 1.8 t -164.41 177.42 8.22 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.283 -0.886 . . . . 0.0 109.357 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.472 ' N ' ' OG ' ' A' ' 90' ' ' SER . . . -72.01 176.15 5.31 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.224 -0.923 . . . . 0.0 109.565 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.4 ' H ' ' HB3' ' A' ' 35' ' ' PRO . 6.5 tp -95.65 103.47 15.35 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.242 -0.911 . . . . 0.0 109.504 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -148.21 138.47 22.69 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.201 -0.937 . . . . 0.0 109.461 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.69 -45.7 18.49 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.24 -0.913 . . . . 0.0 109.846 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -50.98 -51.38 53.34 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.141 -0.974 . . . . 0.0 109.558 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 tp -63.06 -52.41 62.87 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.199 -0.938 . . . . 0.0 109.456 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 43.7 mt -51.97 -29.61 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.269 -0.894 . . . . 0.0 109.467 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -69.79 -44.92 69.08 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.188 -0.945 . . . . 0.0 109.355 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -69.24 -40.33 77.96 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.197 -0.939 . . . . 0.0 109.255 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.499 ' NE2' ' SD ' ' A' ' 88' ' ' MET . 13.0 mm100 -61.59 -52.26 65.12 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.33 -0.857 . . . . 0.0 109.281 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 47.6 t -59.42 -49.25 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.301 -0.874 . . . . 0.0 109.231 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -57.45 -25.32 59.5 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.308 -0.87 . . . . 0.0 109.081 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.97 -52.3 17.8 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.361 -0.837 . . . . 0.0 109.308 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 28.5 mt -66.65 -29.84 69.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.307 -0.871 . . . . 0.0 109.457 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.86 -52.99 47.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.239 -0.913 . . . . 0.0 109.533 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -59.27 -40.56 86.46 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.174 -0.954 . . . . 0.0 109.539 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.67 -39.77 88.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.213 -0.93 . . . . 0.0 109.471 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.91 -63.52 1.27 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.261 -0.899 . . . . 0.0 109.432 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -59.27 -30.77 68.54 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.272 -0.892 . . . . 0.0 109.345 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -59.99 -33.22 71.68 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.23 -0.919 . . . . 0.0 109.528 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.489 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 10.2 m-85 -93.86 -76.84 0.47 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.222 -0.924 . . . . 0.0 109.594 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.5 OUTLIER 165.39 37.71 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.184 -0.948 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.8 pt -123.43 -179.9 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.331 -0.855 . . . . 0.0 109.521 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.472 HD13 ' N ' ' A' ' 115' ' ' TYR . 0.1 OUTLIER -123.09 120.78 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.295 -0.878 . . . . 0.0 109.556 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.491 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 4.4 t80 -101.08 109.55 21.46 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.288 -0.882 . . . . 0.0 109.334 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -160.58 86.65 0.73 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.255 -0.903 . . . . 0.0 109.545 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 160.69 79.51 0.03 OUTLIER Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.469 ' CE3' ' N ' ' A' ' 119' ' ' GLY . 5.6 p-90 -123.67 158.51 31.41 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.272 -1.134 . . . . 0.0 109.581 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.469 ' N ' ' CE3' ' A' ' 118' ' ' TRP . . . -176.25 177.55 47.79 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.04 157.99 43.95 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.114 -1.227 . . . . 0.0 109.541 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.235 -0.916 . . . . 0.0 109.566 179.923 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.319 0.58 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -67.19 -46.97 72.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.227 -0.921 . . . . 0.0 109.641 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 mt -65.0 -23.98 67.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.288 -0.882 . . . . 0.0 109.813 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.8 mt -72.45 -46.73 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.18 -0.95 . . . . 0.0 109.659 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -62.32 -54.32 42.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.114 -0.991 . . . . 0.0 109.463 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.528 ' O ' ' C ' ' A' ' 17' ' ' GLN . 36.6 mt -59.69 -62.21 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.52 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.528 ' C ' ' O ' ' A' ' 16' ' ' ILE . 5.4 tp60 -35.86 -47.79 0.53 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.268 -0.895 . . . . 0.0 109.324 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.604 ' NZ ' ' OD2' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -53.32 -57.75 9.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.304 -0.873 . . . . 0.0 109.181 179.702 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -48.82 -43.37 38.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.267 -0.896 . . . . 0.0 109.139 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -59.06 -53.31 59.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.257 -0.902 . . . . 0.0 109.343 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -55.56 -63.08 1.28 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.301 -0.874 . . . . 0.0 109.725 -179.866 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' THR . 15.9 mtm180 -42.89 -38.65 2.26 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.249 -0.907 . . . . 0.0 109.772 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -60.84 -49.34 77.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.236 -0.915 . . . . 0.0 109.797 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' A' ' 25' ' ' ILE . 41.9 mt -65.76 -59.64 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.233 -0.917 . . . . 0.0 109.736 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 24' ' ' ILE . 11.0 mm -43.63 -29.07 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.199 -0.938 . . . . 0.0 109.685 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -77.71 -52.27 9.23 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.188 -0.945 . . . . 0.0 109.587 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.47 -33.14 72.15 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.266 -0.896 . . . . 0.0 109.445 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.9 mt -68.66 -45.28 72.17 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.264 -0.897 . . . . 0.0 109.496 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -67.95 -53.21 27.97 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.215 -0.928 . . . . 0.0 109.321 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -48.33 -44.35 34.06 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.307 -0.87 . . . . 0.0 109.391 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.17 -34.98 59.22 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.27 -0.894 . . . . 0.0 109.454 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.34 21.25 7.01 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.386 -1.486 . . . . 0.0 109.386 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 95.0 p -48.66 167.42 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.346 -1.091 . . . . 0.0 109.658 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.74 77.14 74.45 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.331 -0.856 . . . . 0.0 109.323 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -53.74 -22.39 22.95 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.901 2.401 . . . . 0.0 112.278 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -49.86 -16.8 0.29 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.237 -0.914 . . . . 0.0 109.641 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -91.21 -102.72 0.1 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.168 -0.957 . . . . 0.0 109.52 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.7 tp -155.72 162.65 40.51 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.312 -0.867 . . . . 0.0 109.384 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -141.32 138.31 33.04 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.243 -0.91 . . . . 0.0 109.579 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -108.82 142.41 39.44 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.311 -0.868 . . . . 0.0 109.522 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.531 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 3.4 mp -125.49 156.77 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.375 -0.828 . . . . 0.0 109.203 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.474 ' H ' HG23 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -140.11 135.05 32.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.101 -0.999 . . . . 0.0 109.654 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.46 ' CE1' HG21 ' A' ' 41' ' ' ILE . 29.5 m-70 -119.93 135.29 54.96 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.345 -0.847 . . . . 0.0 109.11 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -105.55 137.28 43.65 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.23 -0.919 . . . . 0.0 109.804 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.589 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 2.6 mp -141.66 126.96 18.64 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.413 -0.804 . . . . 0.0 109.2 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.794 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -108.63 159.69 16.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.209 -0.932 . . . . 0.0 109.504 -179.842 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.97 165.6 25.6 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.275 -0.891 . . . . 0.0 109.588 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -105.12 -23.34 12.94 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.199 -0.938 . . . . 0.0 109.33 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.673 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -114.94 116.47 28.56 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.297 -0.877 . . . . 0.0 109.276 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.439 ' C ' ' O ' ' A' ' 49' ' ' ASP . 2.1 p90 -43.68 -38.29 3.04 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.174 -0.954 . . . . 0.0 109.368 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -62.81 -72.51 0.13 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.228 -0.92 . . . . 0.0 109.267 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.507 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -37.21 -33.57 0.06 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.296 -0.877 . . . . 0.0 109.352 179.827 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 51' ' ' ASP . 4.6 tt -64.66 -42.22 95.55 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.32 -0.863 . . . . 0.0 109.407 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 51' ' ' ASP . 6.8 tt0 -69.37 -25.9 64.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.306 -0.871 . . . . 0.0 109.822 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.07 -63.74 1.35 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.165 -0.96 . . . . 0.0 109.965 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.05 -29.2 43.07 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.214 -0.929 . . . . 0.0 109.79 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.96 -46.09 46.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.185 -0.947 . . . . 0.0 109.697 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.4 t -59.5 -28.7 40.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.247 -0.908 . . . . 0.0 109.634 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -72.55 -54.75 8.3 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.248 -0.908 . . . . 0.0 109.688 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.26 -42.98 70.56 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.233 -0.917 . . . . 0.0 109.624 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -61.07 -40.63 94.42 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.183 -0.948 . . . . 0.0 109.554 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -63.91 -26.24 68.51 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.196 -0.94 . . . . 0.0 109.51 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 13.7 mtm -78.38 -29.63 47.45 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.2 -0.938 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.26 -16.22 4.15 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -60.72 133.76 56.42 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.289 -1.124 . . . . 0.0 109.433 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.32 80.3 9.2 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.211 -0.931 . . . . 0.0 109.216 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 p -54.38 133.22 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.276 -0.89 . . . . 0.0 109.561 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.547 ' O ' ' O ' ' A' ' 69' ' ' GLU . 1.1 tt -114.0 138.42 50.39 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.273 -0.892 . . . . 0.0 109.286 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.547 ' O ' ' O ' ' A' ' 68' ' ' LEU . 3.6 mp0 -38.45 162.17 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.214 -0.928 . . . . 0.0 109.586 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.63 179.11 4.37 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.267 -0.895 . . . . 0.0 109.645 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.552 ' O ' ' C ' ' A' ' 72' ' ' GLU . 16.1 tt0 -147.55 103.5 3.54 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.364 -0.835 . . . . 0.0 109.236 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.552 ' C ' ' O ' ' A' ' 71' ' ' GLU . 58.1 mt-10 -33.75 110.6 0.09 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.385 -0.822 . . . . 0.0 109.736 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.262 -0.899 . . . . 0.0 109.434 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.03 158.94 43.29 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.262 -0.899 . . . . 0.0 109.52 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.422 ' N ' HD12 ' A' ' 82' ' ' LEU . 6.7 mp -88.58 127.59 35.56 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.322 -0.861 . . . . 0.0 109.125 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.524 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 28.5 p -124.54 106.01 9.82 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.268 -0.895 . . . . 0.0 109.899 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.589 ' CE1' ' O ' ' A' ' 45' ' ' LEU . 13.2 p90 -97.42 156.48 16.45 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.116 -0.99 . . . . 0.0 108.827 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -126.64 168.01 14.91 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.033 -1.042 . . . . 0.0 110.049 -179.485 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -142.05 152.22 43.15 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.436 -0.79 . . . . 0.0 109.063 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.2 p -130.84 156.96 44.13 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.189 -0.944 . . . . 0.0 109.706 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 15.2 ttm -153.56 116.8 4.59 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.321 -0.862 . . . . 0.0 109.549 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.686 ' NE2' ' N ' ' A' ' 89' ' ' GLN . 0.6 OUTLIER -85.74 133.19 34.01 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.203 -0.936 . . . . 0.0 109.272 179.744 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.7 p -166.16 -172.5 2.29 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.211 -0.931 . . . . 0.0 109.543 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.503 ' O ' ' C ' ' A' ' 92' ' ' LEU . . . -93.33 120.42 33.59 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.353 -0.842 . . . . 0.0 109.542 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.521 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 29.3 tp -37.68 134.2 0.72 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.22 -0.925 . . . . 0.0 109.498 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.521 ' CG ' ' O ' ' A' ' 92' ' ' LEU . 4.7 m-20 -178.67 113.18 0.06 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.219 -0.926 . . . . 0.0 109.367 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -46.42 -69.06 0.14 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.245 -0.91 . . . . 0.0 109.625 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' A' ' 94' ' ' ALA . 9.0 mtmt -39.88 -48.15 2.26 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.258 -0.901 . . . . 0.0 109.916 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.428 HD22 HE21 ' A' ' 100' ' ' GLN . 1.1 tt -58.89 -54.88 42.12 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.118 -0.989 . . . . 0.0 109.729 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 33.4 mt -57.8 -30.21 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.16 -0.962 . . . . 0.0 109.622 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.604 ' OD2' ' NZ ' ' A' ' 18' ' ' LYS . 1.8 m-20 -63.2 -41.61 99.2 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.215 -0.928 . . . . 0.0 109.384 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -65.15 -40.82 94.9 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.298 -0.876 . . . . 0.0 109.232 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.428 HE21 HD22 ' A' ' 96' ' ' LEU . 45.6 mm-40 -64.29 -49.11 73.1 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.266 -0.896 . . . . 0.0 109.611 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 59.6 t -65.87 -60.62 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.203 -0.935 . . . . 0.0 109.525 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 106' ' ' ASN . 35.0 tt0 -45.48 -31.82 1.92 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.203 -0.936 . . . . 0.0 109.497 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -72.7 -61.04 1.95 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.193 -0.942 . . . . 0.0 109.486 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.6 mt -56.63 -15.61 4.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.204 -0.935 . . . . 0.0 109.445 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 92.3 t -83.9 -68.39 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.361 -0.837 . . . . 0.0 109.486 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.534 ' N ' ' ND2' ' A' ' 106' ' ' ASN . 0.3 OUTLIER -50.76 -37.78 44.08 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.28 -0.888 . . . . 0.0 109.466 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.4 tt -72.45 -39.82 67.5 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.254 -0.904 . . . . 0.0 109.468 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.29 -54.61 33.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.24 -0.913 . . . . 0.0 109.601 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -70.75 -34.14 71.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.282 -0.886 . . . . 0.0 109.45 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -58.89 -22.33 59.23 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.217 -0.927 . . . . 0.0 109.2 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.503 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 7.4 m-85 -100.59 -76.73 0.55 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.281 -0.887 . . . . 0.0 109.044 179.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.6 OUTLIER 163.75 33.89 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.381 -0.824 . . . . 0.0 109.542 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 8.8 pt -120.06 178.47 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.158 -0.964 . . . . 0.0 109.552 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -120.37 110.62 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.262 -0.898 . . . . 0.0 109.517 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.483 ' C ' ' CD1' ' A' ' 115' ' ' TYR . 5.1 t80 -87.38 125.89 34.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.251 -0.906 . . . . 0.0 109.419 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -176.9 81.59 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.205 -0.934 . . . . 0.0 109.358 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 160.11 80.99 0.04 OUTLIER Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 3.6 p-90 -122.65 147.0 46.95 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.208 -1.172 . . . . 0.0 109.43 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -162.41 172.37 38.49 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -137.49 177.01 8.19 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.224 -1.163 . . . . 0.0 109.384 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.46 ' N ' ' OG1' ' A' ' 120' ' ' THR . 6.9 t80 . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.351 -0.843 . . . . 0.0 109.561 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.534 ' CD ' ' OE2' ' A' ' 12' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.24 0.543 . . . . 0.0 109.646 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.534 ' OE2' ' CD ' ' A' ' 11' ' ' GLU . 23.4 mm-40 -66.4 -48.18 70.92 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.185 -0.947 . . . . 0.0 109.493 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.4 mt -56.67 -33.91 66.86 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.217 -0.927 . . . . 0.0 109.494 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.7 mt -65.72 -51.26 64.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.305 -0.872 . . . . 0.0 109.501 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -63.03 1.27 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.224 -0.923 . . . . 0.0 109.401 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.414 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.4 mp -53.86 -45.64 63.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.296 -0.878 . . . . 0.0 109.477 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.477 ' OE1' ' OG1' ' A' ' 21' ' ' THR . 5.1 tp-100 -58.91 -18.84 36.95 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.367 -0.833 . . . . 0.0 109.662 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -83.57 -60.38 2.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.202 -0.936 . . . . 0.0 109.683 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -48.8 -36.21 16.18 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.076 -1.015 . . . . 0.0 109.293 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -70.07 -51.69 29.9 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.322 -0.861 . . . . 0.0 109.509 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.477 ' OG1' ' OE1' ' A' ' 17' ' ' GLN . 9.1 m -55.3 -31.83 61.94 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.269 -0.895 . . . . 0.0 109.593 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -67.55 -48.15 67.77 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.074 -1.017 . . . . 0.0 109.562 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.22 -49.53 76.77 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.233 -0.917 . . . . 0.0 109.794 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.6 mt -58.53 -57.69 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.194 -0.942 . . . . 0.0 109.719 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.461 ' N ' HD13 ' A' ' 25' ' ' ILE . 1.1 mp -45.99 -59.18 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.284 -0.885 . . . . 0.0 109.53 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -47.25 -40.33 16.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.196 -0.94 . . . . 0.0 109.652 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.508 ' O ' ' C ' ' A' ' 28' ' ' LEU . . . -68.41 -66.28 0.59 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.219 -0.925 . . . . 0.0 109.632 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.508 ' C ' ' O ' ' A' ' 27' ' ' ALA . 79.9 mt -38.02 -39.62 0.41 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.211 -0.931 . . . . 0.0 109.58 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.608 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -66.05 -63.31 1.11 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.227 -0.92 . . . . 0.0 109.491 -179.86 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.509 ' OE1' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -42.33 -30.85 0.35 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.172 -0.955 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -70.26 -18.14 63.13 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.258 -0.901 . . . . 0.0 109.287 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.608 ' N ' ' O ' ' A' ' 29' ' ' LEU . . . 85.87 33.87 14.51 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.2 p -60.97 -25.37 66.8 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.301 -1.117 . . . . 0.0 109.49 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.548 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER 57.85 88.4 0.12 Allowed Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.289 -0.882 . . . . 0.0 109.617 179.852 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -59.23 -1.33 0.87 Allowed 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.785 2.323 . . . . 0.0 111.971 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.43 ' H ' ' C ' ' A' ' 34' ' ' ASP . 0.3 OUTLIER -65.71 -28.94 69.43 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.313 -0.867 . . . . 0.0 109.605 -179.82 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.438 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -85.44 23.95 1.26 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.227 -0.921 . . . . 0.0 109.183 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.438 ' O ' ' O ' ' A' ' 37' ' ' ALA . 10.3 mt 56.99 164.17 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.278 -0.889 . . . . 0.0 109.164 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.465 ' CZ ' HD12 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -129.6 154.92 46.61 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.255 -0.903 . . . . 0.0 109.53 -179.845 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -106.2 122.63 46.61 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.304 -0.872 . . . . 0.0 109.484 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mm -99.5 143.1 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.193 -0.942 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -133.18 139.46 47.05 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.267 -0.896 . . . . 0.0 109.691 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -131.83 159.28 38.99 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.322 -0.862 . . . . 0.0 109.239 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.671 ' NE2' ' OD2' ' A' ' 85' ' ' ASP . 0.1 OUTLIER -134.72 122.01 21.57 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.198 -0.939 . . . . 0.0 109.689 -179.842 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.454 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 5.2 mp -128.07 151.09 49.6 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.272 -0.893 . . . . 0.0 109.301 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.586 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -132.26 161.11 34.27 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.164 -0.96 . . . . 0.0 109.806 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.02 164.3 34.23 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.458 -0.776 . . . . 0.0 109.411 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -111.63 -1.73 15.64 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.271 -0.893 . . . . 0.0 109.461 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -117.64 124.75 49.35 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.25 -0.906 . . . . 0.0 109.712 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -64.21 -27.42 69.05 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.151 -0.968 . . . . 0.0 109.278 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.7 -55.17 6.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.261 -0.9 . . . . 0.0 109.365 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.0 -31.19 72.27 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.267 -0.895 . . . . 0.0 109.368 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.5 tt -64.84 -42.64 94.75 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.285 -0.884 . . . . 0.0 109.566 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -21.29 59.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.23 -0.919 . . . . 0.0 109.856 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -82.32 -59.69 2.46 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.09 -1.006 . . . . 0.0 109.56 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.17 -34.64 68.66 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.203 -0.936 . . . . 0.0 109.796 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.01 -47.96 40.49 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.251 -0.906 . . . . 0.0 109.743 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.5 t -54.33 -44.96 68.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.2 -0.937 . . . . 0.0 109.845 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -68.21 -39.62 82.34 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.108 -0.995 . . . . 0.0 109.737 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.99 -47.04 61.54 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.223 -0.923 . . . . 0.0 109.69 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.533 ' O ' ' C ' ' A' ' 62' ' ' LYS . 15.5 t80 -68.14 -59.89 2.89 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.221 -0.925 . . . . 0.0 109.671 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.533 ' C ' ' O ' ' A' ' 61' ' ' PHE . 9.1 tttm -36.76 -34.77 0.08 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.178 -0.951 . . . . 0.0 109.532 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.478 ' N ' ' O ' ' A' ' 61' ' ' PHE . 8.8 mtm -70.11 -55.75 8.65 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.189 -0.944 . . . . 0.0 109.504 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 161.49 -24.32 0.24 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.401 ' CZ ' ' NE2' ' A' ' 100' ' ' GLN . 78.1 m-85 -60.03 122.15 13.63 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.271 -1.135 . . . . 0.0 109.325 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.75 86.4 0.67 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.197 -0.939 . . . . 0.0 109.186 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -59.65 145.91 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.307 -0.871 . . . . 0.0 109.741 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.629 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -124.37 135.67 53.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.271 -0.893 . . . . 0.0 109.332 179.865 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 68' ' ' LEU . 1.1 mm-40 -41.46 153.79 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.279 -0.888 . . . . 0.0 109.684 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.421 ' HB3' ' CA ' ' A' ' 84' ' ' PHE . . . -105.42 159.04 16.23 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.331 -0.855 . . . . 0.0 109.588 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -119.82 179.83 4.13 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.31 -0.868 . . . . 0.0 109.171 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -91.39 117.63 29.84 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.187 -0.946 . . . . 0.0 109.686 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.453 HG21 ' HG ' ' A' ' 83' ' ' CYS . 3.5 t . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.255 -0.903 . . . . 0.0 109.341 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.9 tttt . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.236 0.541 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.489 ' C ' ' CD1' ' A' ' 81' ' ' LEU . 1.9 pp -157.62 172.48 18.46 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.184 -0.948 . . . . 0.0 109.465 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.4 mp -112.33 141.91 45.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.18 -0.95 . . . . 0.0 109.449 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.453 ' HG ' HG21 ' A' ' 73' ' ' THR . 26.6 p -134.53 115.95 14.5 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.297 -0.877 . . . . 0.0 109.996 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.69 ' N ' ' CD1' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -97.08 160.23 14.46 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.26 -0.9 . . . . 0.0 109.035 179.516 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.671 ' OD2' ' NE2' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -114.17 147.06 39.49 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.212 -0.93 . . . . 0.0 109.792 -179.595 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -120.49 140.14 51.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.31 -0.869 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.3 147.84 50.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.2 -0.938 . . . . 0.0 109.651 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.7 tpp -160.68 126.62 3.97 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.356 -0.84 . . . . 0.0 109.193 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.639 ' N ' ' OE1' ' A' ' 89' ' ' GLN . 6.6 mp0 -79.31 123.53 27.55 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.199 -0.938 . . . . 0.0 109.639 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.6 p -140.53 -172.32 3.41 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.386 -0.821 . . . . 0.0 109.298 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -100.71 137.71 38.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.193 -0.942 . . . . 0.0 109.501 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.465 HD12 ' CZ ' ' A' ' 39' ' ' TYR . 2.3 tp -57.82 103.72 0.15 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.148 -0.97 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -164.63 140.18 5.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.193 -0.942 . . . . 0.0 109.416 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.513 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -66.17 -71.69 0.19 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.199 -0.938 . . . . 0.0 109.347 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.513 ' C ' ' O ' ' A' ' 94' ' ' ALA . 23.6 mtpp -35.54 -45.9 0.38 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.285 -0.884 . . . . 0.0 109.518 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.03 -54.72 43.88 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.218 -0.926 . . . . 0.0 109.37 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 6.9 mt -56.07 -28.62 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.195 -0.94 . . . . 0.0 109.31 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -64.5 -44.0 92.31 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.279 -0.888 . . . . 0.0 109.185 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.8 -51.41 69.46 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.254 -0.904 . . . . 0.0 109.404 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.401 ' NE2' ' CZ ' ' A' ' 65' ' ' PHE . 23.2 mm100 -58.6 -56.94 15.72 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.162 -0.961 . . . . 0.0 109.419 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.43 HG12 ' CE2' ' A' ' 115' ' ' TYR . 87.1 t -53.48 -24.2 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.313 -0.867 . . . . 0.0 109.251 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.01 -46.8 41.28 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.194 -0.941 . . . . 0.0 109.263 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.401 ' HE2' ' SD ' ' A' ' 63' ' ' MET . 15.9 tptt -63.22 -43.65 97.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.299 -0.876 . . . . 0.0 109.564 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.07 -30.36 70.39 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.266 -0.896 . . . . 0.0 109.708 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.0 t -75.96 -50.09 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.164 -0.96 . . . . 0.0 109.625 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.36 -48.97 75.72 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.186 -0.946 . . . . 0.0 109.714 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.3 tp -62.54 -45.88 90.95 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.225 -0.922 . . . . 0.0 109.693 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.37 -60.13 3.84 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.33 -0.856 . . . . 0.0 109.976 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.97 -19.83 65.44 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.261 -0.899 . . . . 0.0 109.993 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.9 tptt -71.87 -29.76 64.7 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.101 -0.999 . . . . 0.0 109.595 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.516 ' O ' ' CG ' ' A' ' 112' ' ' ASP . 27.1 m-85 -97.32 -77.12 0.5 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.184 -0.947 . . . . 0.0 109.646 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.516 ' CG ' ' O ' ' A' ' 111' ' ' PHE . 2.0 m-20 169.56 35.49 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.206 -0.934 . . . . 0.0 109.434 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 7.0 pt -124.33 172.95 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.231 -0.918 . . . . 0.0 109.346 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.6 tt -119.68 145.76 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.196 -0.94 . . . . 0.0 109.604 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.533 ' CG ' ' O ' ' A' ' 115' ' ' TYR . 1.2 t80 -111.78 97.6 6.81 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.324 -0.86 . . . . 0.0 109.164 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.75 80.93 1.82 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.233 -0.917 . . . . 0.0 109.542 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 162.19 80.15 0.04 OUTLIER Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.691 ' O ' ' CG ' ' A' ' 118' ' ' TRP . 3.1 p-90 -115.6 115.66 26.8 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.221 -1.164 . . . . 0.0 109.315 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -133.19 158.39 23.14 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.29 166.26 18.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.257 -1.143 . . . . 0.0 109.475 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.229 -0.92 . . . . 0.0 109.439 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -72.18 -56.78 4.98 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.569 -0.707 . . . . 0.0 109.297 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.402 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 5.0 mt -49.73 -48.26 50.19 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.32 -0.863 . . . . 0.0 109.276 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.456 ' O ' ' C ' ' A' ' 15' ' ' GLU . 19.4 mt -51.92 -65.77 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.334 -0.854 . . . . 0.0 109.368 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 14' ' ' ILE . 12.4 mm-40 -41.99 -57.98 2.24 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.347 -0.845 . . . . 0.0 109.298 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.484 ' O ' ' C ' ' A' ' 17' ' ' GLN . 64.1 mt -49.33 -67.49 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.325 -0.859 . . . . 0.0 109.415 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.492 ' O ' ' C ' ' A' ' 18' ' ' LYS . 3.8 mp0 -39.87 -54.62 2.13 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.191 -0.943 . . . . 0.0 109.228 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.492 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -38.54 -58.89 0.98 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.209 -0.932 . . . . 0.0 109.351 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.522 ' O ' ' C ' ' A' ' 20' ' ' GLU . 2.8 mt-10 -56.83 -66.21 0.48 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.244 -0.91 . . . . 0.0 109.513 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.522 ' C ' ' O ' ' A' ' 19' ' ' GLU . 4.0 mm-40 -36.2 -42.93 0.33 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.248 -0.907 . . . . 0.0 109.622 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 22' ' ' ARG . 2.1 m -58.94 -61.45 2.62 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.254 -0.904 . . . . 0.0 109.565 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 21' ' ' THR . 8.2 ttp180 -43.07 -44.87 5.04 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.274 -0.891 . . . . 0.0 109.47 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.66 -48.06 72.8 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.296 -0.877 . . . . 0.0 109.267 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.574 ' O ' ' N ' ' A' ' 26' ' ' GLN . 14.9 mt -70.65 -67.16 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.37 -0.831 . . . . 0.0 109.452 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.502 ' C ' ' O ' ' A' ' 24' ' ' ILE . 17.0 mm -36.78 -29.24 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.266 -0.896 . . . . 0.0 109.519 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.574 ' N ' ' O ' ' A' ' 24' ' ' ILE . 8.5 mm-40 -76.54 -52.71 9.24 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.179 -0.951 . . . . 0.0 109.511 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.67 -49.44 62.35 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.28 -0.888 . . . . 0.0 109.686 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 29' ' ' LEU . 15.2 mt -60.32 -63.17 1.39 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.268 -0.895 . . . . 0.0 109.709 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 28' ' ' LEU . 1.0 OUTLIER -45.23 -55.14 6.13 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.14 -0.975 . . . . 0.0 109.474 -179.784 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -53.09 -31.41 41.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.243 -0.911 . . . . 0.0 109.592 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.28 -23.84 65.72 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.214 -0.929 . . . . 0.0 109.424 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.33 32.67 8.61 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -74.71 126.76 31.56 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.267 -1.137 . . . . 0.0 109.663 -179.844 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 33' ' ' SER . 0.3 OUTLIER -40.78 102.96 0.28 Allowed Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.262 -0.899 . . . . 0.0 109.673 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -56.19 -9.88 3.9 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.598 2.198 . . . . 0.0 112.475 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -119.34 15.35 13.02 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.043 -1.036 . . . . 0.0 109.97 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.26 4.3 35.47 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.131 -0.981 . . . . 0.0 109.206 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 64.19 143.09 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.369 -0.832 . . . . 0.0 109.475 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -127.62 160.2 32.35 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.263 -0.898 . . . . 0.0 109.428 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -109.81 127.01 54.38 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.208 -0.932 . . . . 0.0 109.551 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mm -101.61 132.13 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.249 -0.907 . . . . 0.0 109.188 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -115.95 124.21 49.99 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.305 -0.872 . . . . 0.0 109.379 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.495 ' N ' ' CD2' ' A' ' 43' ' ' HIS . 6.4 m-70 -114.88 139.15 50.01 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.172 -0.955 . . . . 0.0 109.532 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.533 ' ND1' ' O ' ' A' ' 117' ' ' GLY . 14.8 m80 -103.1 120.07 40.01 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.316 -0.865 . . . . 0.0 109.564 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.43 ' HB2' ' CE2' ' A' ' 84' ' ' PHE . 4.1 mp -127.45 136.05 51.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.266 -0.896 . . . . 0.0 109.031 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.629 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -126.42 167.97 14.84 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.148 -0.97 . . . . 0.0 109.989 -179.571 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.11 177.28 10.67 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.433 -0.792 . . . . 0.0 109.299 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -113.82 -28.84 7.28 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.166 -0.959 . . . . 0.0 109.657 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 51' ' ' ASP . 2.6 t70 -117.98 111.18 18.61 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.203 -0.936 . . . . 0.0 109.764 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -47.5 -20.51 0.24 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.291 -0.881 . . . . 0.0 109.188 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 49' ' ' ASP . 15.7 t70 -65.7 -69.91 0.27 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.327 -0.858 . . . . 0.0 109.377 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.08 -26.5 64.69 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.163 -0.96 . . . . 0.0 109.251 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.454 ' CD2' ' C ' ' A' ' 53' ' ' LEU . 5.2 tt -64.98 -59.81 3.75 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.327 -0.858 . . . . 0.0 109.452 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -50.31 -38.52 42.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.344 -0.847 . . . . 0.0 109.416 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -58.62 -50.31 74.32 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.366 -0.834 . . . . 0.0 109.672 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 57' ' ' ALA . . . -67.08 -64.13 0.92 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.191 -0.943 . . . . 0.0 109.529 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 56' ' ' ALA . . . -41.21 -47.47 3.33 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.301 -0.875 . . . . 0.0 109.674 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.5 t -54.47 -50.32 58.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.203 -0.936 . . . . 0.0 109.626 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.81 -39.0 83.54 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.227 -0.921 . . . . 0.0 109.658 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.43 -58.72 7.37 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.233 -0.917 . . . . 0.0 109.281 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -48.4 -47.26 37.85 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.285 -0.885 . . . . 0.0 109.269 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.46 ' HB3' ' NZ ' ' A' ' 62' ' ' LYS . 1.4 mtpm? -49.27 -60.05 3.15 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.319 -0.863 . . . . 0.0 109.373 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 20.6 mtm -47.41 -60.03 2.8 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.304 -0.873 . . . . 0.0 109.366 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 158.19 32.66 0.02 OUTLIER Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.466 ' CE1' ' HE2' ' A' ' 88' ' ' MET . 58.2 m-85 -102.26 148.84 24.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.249 -1.148 . . . . 0.0 109.378 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -98.97 82.06 2.7 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.235 -0.916 . . . . 0.0 109.311 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.5 p -60.2 124.27 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.2 -0.937 . . . . 0.0 109.601 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.53 ' O ' ' O ' ' A' ' 69' ' ' GLU . 0.6 OUTLIER -102.95 143.98 31.84 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.291 -0.88 . . . . 0.0 109.188 179.762 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.53 ' O ' ' O ' ' A' ' 68' ' ' LEU . 0.6 OUTLIER -40.01 164.03 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.233 -0.917 . . . . 0.0 109.354 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -112.08 175.8 5.28 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.242 -0.911 . . . . 0.0 109.53 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.464 ' OE1' ' C ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -135.27 153.52 51.87 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.29 -0.881 . . . . 0.0 109.398 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.464 ' C ' ' OE1' ' A' ' 71' ' ' GLU . 1.3 mm-40 -75.87 104.59 6.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.312 -0.868 . . . . 0.0 109.366 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.267 -0.896 . . . . 0.0 109.471 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.0 tptt . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.224 0.535 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.06 -167.34 1.37 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.16 -0.962 . . . . 0.0 109.293 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 mp -120.14 141.6 49.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.079 -1.013 . . . . 0.0 109.748 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.461 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER -130.5 101.94 5.94 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.325 -0.859 . . . . 0.0 109.222 179.704 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.506 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 5.6 p90 -91.71 149.92 21.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.128 -0.982 . . . . 0.0 109.466 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -103.73 156.16 18.02 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.328 -0.857 . . . . 0.0 109.556 -179.822 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -131.53 131.34 43.32 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.264 -0.897 . . . . 0.0 109.369 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.59 143.43 45.62 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.227 -0.921 . . . . 0.0 109.517 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.466 ' HE2' ' CE1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -149.89 118.42 6.52 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.319 -0.863 . . . . 0.0 109.582 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -71.04 119.62 15.42 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.244 -0.91 . . . . 0.0 109.088 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.46 140.52 31.94 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.061 -1.024 . . . . 0.0 109.818 -179.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.88 142.8 52.89 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.262 -0.899 . . . . 0.0 109.268 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.493 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 1.0 OUTLIER -58.59 109.87 0.88 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.277 -0.889 . . . . 0.0 109.57 -179.85 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.493 ' OD1' ' O ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -170.05 130.36 0.97 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.334 -0.854 . . . . 0.0 109.368 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.65 -50.1 72.55 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.172 -0.955 . . . . 0.0 109.725 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -52.55 -29.32 24.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.233 -0.917 . . . . 0.0 109.608 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.52 -50.62 17.4 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.199 -0.938 . . . . 0.0 109.54 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 51.5 mt -64.54 -28.87 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.355 -0.841 . . . . 0.0 109.682 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.69 -50.35 58.08 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.245 -0.909 . . . . 0.0 109.635 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.66 -48.12 82.16 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.214 -0.929 . . . . 0.0 109.62 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.658 ' OE1' ' N ' ' A' ' 100' ' ' GLN . 0.9 OUTLIER -64.38 -41.98 96.41 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.172 -0.955 . . . . 0.0 109.629 -179.875 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.3 t -58.6 -61.59 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.194 -0.941 . . . . 0.0 109.641 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -45.9 -45.12 15.13 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.247 -0.908 . . . . 0.0 109.755 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -56.0 -55.98 26.24 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.235 -0.916 . . . . 0.0 109.927 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 70.3 mt -61.7 -34.13 75.24 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.292 -0.88 . . . . 0.0 109.964 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.7 t -66.51 -45.22 89.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.177 -0.952 . . . . 0.0 109.725 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . 0.719 ' N ' HD21 ' A' ' 106' ' ' ASN . 0.8 OUTLIER -63.36 -56.11 19.01 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.179 -0.951 . . . . 0.0 109.789 -179.816 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.4 tp -58.46 -47.62 83.44 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.202 -0.936 . . . . 0.0 109.725 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.38 -45.18 35.47 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.205 -0.934 . . . . 0.0 109.576 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.87 -25.43 48.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.168 -0.957 . . . . 0.0 109.569 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -62.91 -31.95 73.12 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.175 -0.953 . . . . 0.0 109.646 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.491 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 4.4 m-85 -99.19 -77.19 0.52 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.149 -0.97 . . . . 0.0 109.594 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.7 OUTLIER 166.48 36.26 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.174 -0.954 . . . . 0.0 109.734 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 24.1 pt -118.3 137.24 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.119 -0.988 . . . . 0.0 109.335 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.418 HD12 ' N ' ' A' ' 115' ' ' TYR . 0.2 OUTLIER -86.45 113.7 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.222 -0.923 . . . . 0.0 109.651 -179.837 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.481 ' C ' ' CD1' ' A' ' 115' ' ' TYR . 1.0 OUTLIER -99.95 102.65 14.09 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.321 -0.862 . . . . 0.0 109.333 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -152.21 88.26 1.37 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.263 -0.898 . . . . 0.0 109.538 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.533 ' O ' ' ND1' ' A' ' 44' ' ' HIS . . . 162.91 73.86 0.02 OUTLIER Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.525 ' O ' ' CG ' ' A' ' 118' ' ' TRP . 5.9 p-90 -108.69 129.16 55.35 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.188 -1.183 . . . . 0.0 109.532 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -143.71 143.14 11.92 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.404 ' H ' HG22 ' A' ' 120' ' ' THR . 1.8 t -100.18 177.9 4.94 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.216 -1.167 . . . . 0.0 109.621 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 N--CA 1.488 1.468 0 O-C-N 121.331 -0.856 . . . . 0.0 109.291 179.929 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -74.71 -48.19 27.29 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.335 -0.853 . . . . 0.0 109.361 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.45 ' N ' HD23 ' A' ' 13' ' ' LEU . 8.0 mt -61.28 -45.99 92.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.328 -0.857 . . . . 0.0 109.482 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.0 mt -62.05 -54.56 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.155 -0.966 . . . . 0.0 109.52 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -52.17 -55.1 23.19 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.171 -0.956 . . . . 0.0 109.556 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.7 mt -47.52 -37.18 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.265 -0.897 . . . . 0.0 109.751 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.549 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.9 OUTLIER -73.53 -35.8 65.61 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.205 -0.934 . . . . 0.0 109.591 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -59.7 -44.25 93.76 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.253 -0.904 . . . . 0.0 109.606 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -68.44 -55.43 11.9 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.282 -0.886 . . . . 0.0 109.693 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -56.06 -27.83 55.08 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.263 -0.898 . . . . 0.0 109.723 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.549 ' OG1' ' O ' ' A' ' 17' ' ' GLN . 68.8 m -67.91 -53.0 29.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.12 -0.988 . . . . 0.0 109.709 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -58.35 -27.32 64.07 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.222 -0.924 . . . . 0.0 109.482 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.37 -52.19 12.88 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.159 -0.963 . . . . 0.0 109.478 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 84.8 mt -61.86 -55.05 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.246 -0.909 . . . . 0.0 109.437 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.2 mp -54.65 -32.81 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.142 -0.974 . . . . 0.0 109.227 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.562 ' NE2' ' O ' ' A' ' 26' ' ' GLN . 6.9 tp60 -68.71 -57.52 5.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.202 -0.936 . . . . 0.0 109.625 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.08 -51.9 60.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.217 -0.927 . . . . 0.0 109.782 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.99 -48.28 80.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.219 -0.926 . . . . 0.0 109.609 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.3 mt -53.55 -45.27 69.79 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.292 -0.88 . . . . 0.0 109.383 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.413 ' CG ' HE22 ' A' ' 26' ' ' GLN . 6.8 mt-10 -68.35 -30.84 69.88 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.253 -0.904 . . . . 0.0 109.476 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -61.25 -36.34 79.73 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.198 -0.939 . . . . 0.0 109.482 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.561 ' O ' ' O ' ' A' ' 33' ' ' SER . . . 123.64 15.8 3.54 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.929 -1.268 . . . . 0.0 109.929 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.561 ' O ' ' O ' ' A' ' 32' ' ' GLY . 1.3 t -48.32 -175.89 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.13 -1.217 . . . . 0.0 109.303 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -142.14 88.88 8.94 Favored Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.156 -0.965 . . . . 0.0 109.504 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -54.32 -17.72 12.74 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.914 2.409 . . . . 0.0 112.291 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.9 12.72 14.49 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.244 -0.91 . . . . 0.0 109.635 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.518 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -120.34 26.88 8.93 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.177 -0.952 . . . . 0.0 109.475 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.518 ' O ' ' O ' ' A' ' 37' ' ' ALA . 27.4 mt 55.45 160.7 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.23 -0.919 . . . . 0.0 109.36 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.67 171.69 13.72 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.271 -0.893 . . . . 0.0 109.428 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.445 ' O ' ' OG1' ' A' ' 120' ' ' THR . 3.5 tt0 -122.56 128.98 51.43 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.228 -0.92 . . . . 0.0 109.623 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.484 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 2.5 mp -122.39 129.32 75.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.322 -0.861 . . . . 0.0 109.23 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -116.02 146.01 42.51 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.22 -0.925 . . . . 0.0 109.488 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.581 ' N ' ' CD2' ' A' ' 43' ' ' HIS . 1.1 m-70 -121.91 154.04 37.65 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.343 -0.848 . . . . 0.0 109.538 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.531 ' NE2' ' OD1' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -120.74 135.62 55.09 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.283 -0.886 . . . . 0.0 109.318 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.53 ' N ' ' CD1' ' A' ' 45' ' ' LEU . 1.4 mp -144.77 146.34 32.1 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.218 -0.927 . . . . 0.0 109.636 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.647 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -125.38 160.84 28.39 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.313 -0.867 . . . . 0.0 109.753 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.6 -179.46 6.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.376 -0.827 . . . . 0.0 109.545 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.76 -45.65 3.79 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.178 -0.951 . . . . 0.0 110.119 -179.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -100.84 143.91 30.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.076 -1.015 . . . . 0.0 109.976 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.499 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -64.61 -30.51 71.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.254 -0.904 . . . . 0.0 109.088 179.721 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.487 ' O ' ' C ' ' A' ' 52' ' ' LYS . 16.9 m-20 -70.62 -72.04 0.22 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.243 -0.911 . . . . 0.0 109.247 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.487 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -39.91 -35.44 0.36 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.251 -0.906 . . . . 0.0 109.074 179.788 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.408 HD23 ' CD1' ' A' ' 84' ' ' PHE . 5.0 tt -66.53 -53.75 31.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.403 -0.81 . . . . 0.0 109.418 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.442 ' O ' ' CG2' ' A' ' 58' ' ' VAL . 15.7 tt0 -55.9 -25.23 41.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.304 -0.872 . . . . 0.0 109.538 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt -76.83 -65.6 0.92 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.178 -0.951 . . . . 0.0 109.352 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.92 -41.35 33.45 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.178 -0.951 . . . . 0.0 109.046 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.93 -49.02 72.02 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.284 -0.885 . . . . 0.0 109.198 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' A' ' 54' ' ' GLU . 17.3 t -50.74 -53.75 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.302 -0.874 . . . . 0.0 109.203 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -51.41 -41.99 61.15 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.222 -0.924 . . . . 0.0 109.3 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.69 -58.08 8.92 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.355 -0.841 . . . . 0.0 109.306 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.474 ' C ' ' CD1' ' A' ' 61' ' ' PHE . 15.3 t80 -47.75 -60.1 2.81 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.264 -0.897 . . . . 0.0 109.44 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -48.36 -42.36 31.36 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.297 -0.877 . . . . 0.0 109.626 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 28.7 mtm -66.09 -24.96 66.8 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.187 -0.946 . . . . 0.0 109.536 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.58 52.29 0.48 Allowed Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.618 ' CZ ' ' CE ' ' A' ' 88' ' ' MET . 23.9 m-85 -132.58 118.44 19.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.251 -1.147 . . . . 0.0 109.256 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.47 88.15 0.06 Allowed 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.153 -0.967 . . . . 0.0 109.266 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 9.3 p -70.19 145.65 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.348 -0.845 . . . . 0.0 109.731 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.28 138.97 54.09 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.213 -0.929 . . . . 0.0 109.3 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -46.02 164.6 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.187 -0.945 . . . . 0.0 109.648 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.412 ' CB ' ' C ' ' A' ' 83' ' ' CYS . . . -107.88 180.0 4.06 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.204 -0.935 . . . . 0.0 109.491 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 72' ' ' GLU . 0.4 OUTLIER -148.31 118.81 7.41 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.274 -0.891 . . . . 0.0 109.393 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -41.63 117.15 0.88 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.176 -0.952 . . . . 0.0 109.406 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.35 -0.844 . . . . 0.0 109.301 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.56 168.71 15.99 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.262 -0.899 . . . . 0.0 109.519 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.554 ' CD1' ' N ' ' A' ' 82' ' ' LEU . 4.1 mp -98.3 131.51 44.56 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.175 -0.953 . . . . 0.0 109.573 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.412 ' C ' ' CB ' ' A' ' 70' ' ' ALA . 1.7 p -124.35 113.84 18.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.402 -0.811 . . . . 0.0 109.505 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.517 ' N ' ' CD1' ' A' ' 84' ' ' PHE . 5.3 p90 -100.44 162.01 13.22 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.2 -0.937 . . . . 0.0 109.219 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.531 ' OD1' ' NE2' ' A' ' 44' ' ' HIS . 0.4 OUTLIER -122.6 165.58 16.23 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.153 -0.967 . . . . 0.0 109.956 -179.575 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -139.66 160.75 39.15 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.387 -0.821 . . . . 0.0 109.037 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.02 150.01 45.31 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.029 -1.044 . . . . 0.0 110.105 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.618 ' CE ' ' CZ ' ' A' ' 65' ' ' PHE . 7.4 ttm -156.66 128.69 7.34 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.432 -0.793 . . . . 0.0 109.024 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -96.56 142.68 28.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.192 -0.943 . . . . 0.0 109.846 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.4 p -173.08 -176.91 1.47 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.37 -0.831 . . . . 0.0 109.306 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 93' ' ' ASP . . . -81.46 110.65 17.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.215 -0.928 . . . . 0.0 109.643 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 91' ' ' ALA . 14.1 tp -42.28 96.35 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.273 -0.892 . . . . 0.0 109.406 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.6 OUTLIER -144.1 138.34 28.17 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.252 -0.905 . . . . 0.0 109.586 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.55 -45.31 92.19 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.241 -0.912 . . . . 0.0 109.696 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -53.94 -51.38 64.01 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.154 -0.966 . . . . 0.0 109.53 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 97' ' ' ILE . 4.0 mp -60.49 -65.08 0.74 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.181 -0.949 . . . . 0.0 109.358 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 96' ' ' LEU . 25.7 mt -42.69 -38.88 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.272 -0.892 . . . . 0.0 109.608 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.62 -53.83 48.65 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.223 -0.923 . . . . 0.0 109.768 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -63.13 -46.6 86.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.25 -0.906 . . . . 0.0 109.886 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -56.73 -53.12 61.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.194 -0.941 . . . . 0.0 109.525 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.449 ' O ' ' C ' ' A' ' 102' ' ' GLU . 44.2 t -61.35 -54.47 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.156 -0.965 . . . . 0.0 109.422 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 101' ' ' VAL . 21.7 mt-10 -42.08 -35.97 1.04 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.285 -0.884 . . . . 0.0 109.512 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -68.41 -62.83 1.22 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.285 -0.884 . . . . 0.0 109.406 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 35.4 mt -53.03 -20.77 3.78 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.355 -0.841 . . . . 0.0 109.451 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 22.0 t -74.46 -66.03 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.248 -0.907 . . . . 0.0 109.372 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -50.88 -51.08 55.12 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.271 -0.893 . . . . 0.0 109.464 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.448 HD21 ' N ' ' A' ' 108' ' ' ALA . 1.5 tt -54.54 -46.16 73.54 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.324 -0.86 . . . . 0.0 109.759 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.448 ' N ' HD21 ' A' ' 107' ' ' LEU . . . -53.15 -63.29 1.2 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.205 -0.934 . . . . 0.0 109.644 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.587 ' OE1' ' N ' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -55.1 -41.39 71.56 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.205 -0.934 . . . . 0.0 109.806 -179.774 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -54.94 -29.71 57.07 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.255 -0.903 . . . . 0.0 109.665 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.548 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 7.5 m-85 -95.14 -76.07 0.5 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.215 -0.928 . . . . 0.0 109.51 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.9 OUTLIER 160.91 34.6 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.425 -0.797 . . . . 0.0 109.031 -179.833 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.2 pt -119.17 166.01 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.345 -0.847 . . . . 0.0 109.567 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.42 ' CD1' ' C ' ' A' ' 114' ' ' ILE . 0.1 OUTLIER -114.37 113.25 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.304 -0.873 . . . . 0.0 109.353 179.825 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.553 ' O ' ' CD1' ' A' ' 115' ' ' TYR . 1.1 t80 -93.12 114.38 26.89 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.299 -0.876 . . . . 0.0 109.394 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.483 ' O ' ' OD1' ' A' ' 116' ' ' ASP . 5.5 t0 -162.74 84.36 0.53 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.272 -0.893 . . . . 0.0 109.4 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 163.08 83.33 0.05 OUTLIER Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -119.63 157.76 27.79 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.245 -1.15 . . . . 0.0 109.42 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 175.26 157.14 15.86 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.649 -1.38 . . . . 0.0 109.649 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 40' ' ' GLU . 1.4 t -120.47 167.41 12.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.284 -1.127 . . . . 0.0 109.342 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.234 -0.916 . . . . 0.0 109.45 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 12' ' ' GLU . 12.0 tp10 . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.486 ' C ' ' CD ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -40.62 -31.93 0.18 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.175 -0.953 . . . . 0.0 108.983 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.454 ' N ' ' HG3' ' A' ' 12' ' ' GLU . 0.8 OUTLIER -68.67 -59.73 2.91 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.296 -0.878 . . . . 0.0 108.934 179.546 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 14.1 mt -53.79 -35.3 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.292 -0.88 . . . . 0.0 109.225 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.25 -63.13 1.39 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.478 -0.763 . . . . 0.0 109.591 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 60.1 mt -54.11 -61.04 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.32 -0.862 . . . . 0.0 109.789 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -46.38 -48.54 18.58 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.146 -0.971 . . . . 0.0 109.673 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.43 ' HZ2' ' HB3' ' A' ' 18' ' ' LYS . 11.2 ttpp -59.59 -57.69 11.84 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.234 -0.916 . . . . 0.0 109.626 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -50.6 -63.91 0.98 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.271 -0.893 . . . . 0.0 109.583 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' THR . 41.5 tt0 -41.81 -67.4 0.26 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.281 -0.887 . . . . 0.0 109.592 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.53 ' O ' ' C ' ' A' ' 22' ' ' ARG . 84.8 m -41.69 -64.81 0.52 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.211 -0.931 . . . . 0.0 109.591 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.53 ' C ' ' O ' ' A' ' 21' ' ' THR . 6.2 mtm180 -35.06 -35.37 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.206 -0.934 . . . . 0.0 109.551 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -74.48 -44.62 50.68 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.23 -0.919 . . . . 0.0 109.438 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' A' ' 21' ' ' THR . 62.8 mt -60.38 -54.13 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.22 -0.925 . . . . 0.0 109.373 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.2 mm -52.28 -56.69 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.317 -0.864 . . . . 0.0 109.579 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -51.77 -29.02 17.19 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.258 -0.901 . . . . 0.0 109.465 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.57 -65.4 0.76 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.239 -0.913 . . . . 0.0 109.447 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.9 mt -52.7 -39.77 62.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.285 -0.885 . . . . 0.0 109.589 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.61 -56.74 11.95 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.233 -0.917 . . . . 0.0 109.417 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -52.43 -26.2 12.05 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.265 -0.897 . . . . 0.0 109.498 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.46 -37.48 74.29 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.246 -0.909 . . . . 0.0 109.636 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 123.83 18.18 2.97 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.551 -1.419 . . . . 0.0 109.551 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.2 p -46.98 168.93 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.25 -1.147 . . . . 0.0 109.644 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -119.49 92.31 45.79 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.341 -0.85 . . . . 0.0 109.35 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -53.62 -27.53 42.1 Favored 'Trans proline' 0 C--N 1.307 -1.613 0 C-N-CA 122.87 2.38 . . . . 0.0 112.511 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -79.05 10.55 3.38 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.173 -0.954 . . . . 0.0 109.741 -179.722 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.455 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -104.98 12.36 32.43 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.183 -0.948 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' A' ' 37' ' ' ALA . 9.2 tp 60.29 146.66 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.257 -0.902 . . . . 0.0 109.596 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.458 ' CD2' HD12 ' A' ' 92' ' ' LEU . 1.9 m-85 -130.75 153.92 48.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.399 -0.813 . . . . 0.0 109.476 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -115.93 119.41 35.84 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.261 -0.9 . . . . 0.0 109.538 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.4 mm -97.36 156.66 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.216 -0.927 . . . . 0.0 109.443 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -138.69 125.49 20.98 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.179 -0.95 . . . . 0.0 109.507 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -111.3 134.81 52.62 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.325 -0.859 . . . . 0.0 109.486 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -98.72 123.77 43.14 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.216 -0.927 . . . . 0.0 109.182 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 3.0 mp -132.75 135.84 45.98 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.105 -0.997 . . . . 0.0 109.713 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.723 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -123.41 154.43 39.04 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.233 -0.917 . . . . 0.0 109.502 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -131.68 -179.95 5.69 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.394 -0.816 . . . . 0.0 109.463 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -107.42 -33.61 7.31 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.323 -0.861 . . . . 0.0 109.552 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.43 139.08 49.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.223 -0.923 . . . . 0.0 109.482 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -62.29 -33.24 74.27 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.234 -0.916 . . . . 0.0 109.317 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -61.34 -68.79 0.28 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.24 -0.913 . . . . 0.0 109.444 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 55' ' ' LYS . 1.1 tpmt? -45.99 -46.34 16.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.198 -0.939 . . . . 0.0 109.262 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.9 tt -44.55 -47.38 10.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.297 -0.877 . . . . 0.0 109.233 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -67.9 -26.64 66.09 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.273 -0.892 . . . . 0.0 109.315 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' LYS . 18.4 mmmt -72.08 -52.66 15.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.239 -0.913 . . . . 0.0 109.589 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.84 -37.78 79.39 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.227 -0.921 . . . . 0.0 109.682 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.45 -41.7 84.28 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.2 -0.937 . . . . 0.0 109.573 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.9 t -58.06 -60.23 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.168 -0.957 . . . . 0.0 109.53 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.0 -36.66 40.55 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.273 -0.892 . . . . 0.0 109.557 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.88 -55.1 25.23 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.257 -0.902 . . . . 0.0 109.534 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -51.28 -49.14 61.8 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.257 -0.902 . . . . 0.0 109.565 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 63' ' ' MET . 1.3 ttpt -52.16 -55.49 20.68 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.223 -0.923 . . . . 0.0 109.51 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 62' ' ' LYS . 1.3 mtt -42.87 -41.02 3.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.234 -0.916 . . . . 0.0 109.518 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.14 19.89 0.46 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.56 ' CZ ' ' SD ' ' A' ' 88' ' ' MET . 12.5 m-85 -98.63 161.84 13.45 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.259 -1.142 . . . . 0.0 109.577 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.451 ' HB2' ' HG1' ' A' ' 87' ' ' THR . 30.8 mt-10 -112.82 90.49 3.36 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.294 -0.879 . . . . 0.0 109.1 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.8 p -62.81 150.8 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.305 -0.872 . . . . 0.0 110.105 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.635 ' N ' ' O ' ' A' ' 85' ' ' ASP . 10.4 tp -127.29 139.46 52.88 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.432 -0.792 . . . . 0.0 108.945 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 68' ' ' LEU . 7.6 mt-10 -42.16 154.67 0.05 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.161 -0.962 . . . . 0.0 109.88 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.415 ' HB1' ' N ' ' A' ' 83' ' ' CYS . . . -104.99 168.06 9.3 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.336 -0.853 . . . . 0.0 109.588 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.513 ' O ' ' C ' ' A' ' 72' ' ' GLU . 4.2 tt0 -133.29 108.57 8.82 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.27 -0.893 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.513 ' C ' ' O ' ' A' ' 71' ' ' GLU . 34.2 tt0 -37.68 113.99 0.31 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.22 -0.925 . . . . 0.0 109.481 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.227 -0.92 . . . . 0.0 109.38 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.324 0.583 . . . . 0.0 109.689 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 pp -153.36 160.46 42.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.278 -0.889 . . . . 0.0 109.29 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 mp -104.09 139.88 38.55 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.208 -0.933 . . . . 0.0 109.684 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.415 ' N ' ' HB1' ' A' ' 70' ' ' ALA . 2.5 t -125.98 103.3 7.67 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.383 -0.823 . . . . 0.0 109.329 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 4.0 p90 -91.95 155.74 17.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.158 -0.964 . . . . 0.0 109.025 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.635 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -114.93 147.42 40.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.168 -0.957 . . . . 0.0 110.141 -179.187 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -131.96 134.76 45.98 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.444 -0.785 . . . . 0.0 108.986 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.451 ' HG1' ' HB2' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -113.62 164.44 13.67 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.183 -0.948 . . . . 0.0 109.738 -179.732 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.56 ' SD ' ' CZ ' ' A' ' 65' ' ' PHE . 9.9 ttt -160.66 111.85 1.86 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.313 -0.867 . . . . 0.0 109.513 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.52 ' N ' ' CD ' ' A' ' 89' ' ' GLN . 2.0 mp0 -70.34 138.54 51.53 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.253 -0.904 . . . . 0.0 109.504 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.39 -162.23 1.46 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.261 -0.899 . . . . 0.0 109.455 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.565 ' O ' ' C ' ' A' ' 92' ' ' LEU . . . -117.34 47.85 1.44 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.232 -0.918 . . . . 0.0 109.675 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.565 ' C ' ' O ' ' A' ' 91' ' ' ALA . 2.5 tp 32.14 95.92 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.54 -0.725 . . . . 0.0 109.726 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.78 123.65 6.22 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.207 -0.933 . . . . 0.0 109.634 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.26 -37.93 67.89 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.313 -0.867 . . . . 0.0 109.45 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 41.2 mttp -63.2 -45.37 92.02 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.308 -0.87 . . . . 0.0 109.414 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 97' ' ' ILE . 4.5 tp -67.46 -64.2 0.9 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.287 -0.883 . . . . 0.0 109.313 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 96' ' ' LEU . 25.0 mt -42.35 -34.46 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.355 -0.841 . . . . 0.0 109.466 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.98 -48.8 67.37 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.261 -0.899 . . . . 0.0 109.539 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.428 ' C ' ' HZ3' ' A' ' 103' ' ' LYS . 7.5 mt-10 -61.96 -36.69 82.17 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.255 -0.903 . . . . 0.0 109.523 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -69.56 -50.64 42.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.228 -0.92 . . . . 0.0 109.65 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 22.7 t -61.69 -42.62 95.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.305 -0.872 . . . . 0.0 109.766 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -61.35 -39.53 90.94 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.308 -0.87 . . . . 0.0 109.745 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.428 ' HZ3' ' C ' ' A' ' 99' ' ' GLU . 29.3 mtmm -72.1 -36.58 69.5 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.106 -0.996 . . . . 0.0 109.628 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.41 -34.45 72.53 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.191 -0.943 . . . . 0.0 109.444 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.7 t -67.07 -66.22 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.291 -0.881 . . . . 0.0 109.625 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -47.07 -42.47 18.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.211 -0.931 . . . . 0.0 109.796 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.446 HD23 ' N ' ' A' ' 108' ' ' ALA . 3.4 tt -64.48 -53.1 53.53 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.246 -0.909 . . . . 0.0 109.87 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.446 ' N ' HD23 ' A' ' 107' ' ' LEU . . . -44.3 -57.04 3.72 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.226 -0.921 . . . . 0.0 109.757 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -60.0 -42.26 93.87 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.189 -0.945 . . . . 0.0 109.836 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -50.68 -32.97 20.82 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.141 -0.975 . . . . 0.0 109.566 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.546 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 10.6 m-85 -92.21 -74.97 0.5 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.255 -0.903 . . . . 0.0 109.591 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 1.4 m-20 160.64 35.76 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.284 -0.885 . . . . 0.0 109.424 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 5.3 pt -120.22 177.2 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.283 -0.885 . . . . 0.0 109.564 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -125.61 104.81 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.352 -0.843 . . . . 0.0 109.117 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.566 ' C ' ' CD1' ' A' ' 115' ' ' TYR . 0.8 OUTLIER -94.52 119.59 33.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.226 -0.921 . . . . 0.0 109.518 -179.681 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.481 ' N ' ' CD1' ' A' ' 115' ' ' TYR . 5.7 t70 -163.67 74.46 0.33 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.224 -0.922 . . . . 0.0 109.613 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 168.47 96.12 0.1 Allowed Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.708 -1.357 . . . . 0.0 109.708 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -122.96 138.55 54.65 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.187 -1.184 . . . . 0.0 109.644 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -133.56 159.25 23.59 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.0 t -127.65 150.7 49.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.143 -1.21 . . . . 0.0 109.633 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.278 -0.889 . . . . 0.0 109.277 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -61.51 -53.7 52.93 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.211 -0.931 . . . . 0.0 109.331 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.0 mt -52.9 -50.38 64.03 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.33 -0.856 . . . . 0.0 109.232 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 78.6 mt -59.6 -30.41 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.335 -0.853 . . . . 0.0 109.557 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.7 -66.52 0.53 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.267 -0.895 . . . . 0.0 109.527 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.5 mt -52.05 -41.46 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.266 -0.896 . . . . 0.0 109.66 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.477 ' O ' ' C ' ' A' ' 18' ' ' LYS . 2.7 tp-100 -60.15 -60.43 3.83 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.183 -0.948 . . . . 0.0 109.669 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 17' ' ' GLN . 2.9 ttmt -40.49 -50.47 2.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.231 -0.918 . . . . 0.0 109.49 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.21 -50.44 70.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.265 -0.897 . . . . 0.0 109.618 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 21' ' ' THR . 30.5 tt0 -49.39 -62.79 1.35 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.225 -0.922 . . . . 0.0 109.343 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 20' ' ' GLU . 25.3 m -42.6 -53.77 4.27 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.173 -0.954 . . . . 0.0 109.315 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 21' ' ' THR . 24.4 ttp180 -43.53 -45.17 6.43 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.186 -0.946 . . . . 0.0 109.33 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -63.24 -39.02 93.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.275 -0.891 . . . . 0.0 109.473 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.472 ' O ' ' C ' ' A' ' 25' ' ' ILE . 39.0 mt -69.95 -64.31 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.216 -0.928 . . . . 0.0 109.401 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.472 ' C ' ' O ' ' A' ' 24' ' ' ILE . 19.1 mm -40.58 -44.31 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.259 -0.901 . . . . 0.0 109.192 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -58.96 5.71 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.407 -0.808 . . . . 0.0 109.399 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 28' ' ' LEU . . . -46.28 -66.32 0.42 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.238 -0.914 . . . . 0.0 109.545 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.68 ' O ' ' N ' ' A' ' 32' ' ' GLY . 13.4 mt -43.02 -65.67 0.46 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.149 -0.969 . . . . 0.0 109.36 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.543 ' C ' ' O ' ' A' ' 28' ' ' LEU . 1.3 mm? -35.43 -52.33 0.63 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.239 -0.913 . . . . 0.0 109.393 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -61.29 -35.97 78.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.303 -0.873 . . . . 0.0 109.287 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.611 ' N ' ' O ' ' A' ' 28' ' ' LEU . 7.9 m-20 -140.05 56.92 1.62 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.28 -0.888 . . . . 0.0 109.498 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.68 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . 167.2 30.74 0.02 OUTLIER Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.716 -1.353 . . . . 0.0 109.716 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.6 t -62.4 -115.49 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.22 -1.165 . . . . 0.0 109.527 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.524 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 0.6 OUTLIER 45.96 50.67 8.39 Favored Pre-proline 0 N--CA 1.49 1.525 0 O-C-N 121.19 -0.944 . . . . 0.0 109.507 -179.878 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 34' ' ' ASP . 35.6 Cg_endo -68.14 -8.02 21.6 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.794 2.329 . . . . 0.0 111.881 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -82.31 3.93 25.79 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.26 -0.9 . . . . 0.0 109.314 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.44 -107.98 0.14 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.301 -0.874 . . . . 0.0 109.354 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -167.89 144.54 4.12 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.273 -0.892 . . . . 0.0 109.354 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -127.02 126.38 43.02 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.307 -0.871 . . . . 0.0 109.446 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -98.73 120.61 39.46 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.129 -0.982 . . . . 0.0 109.334 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.561 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 1.5 mp -94.4 148.21 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.284 -0.885 . . . . 0.0 109.945 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -124.15 112.73 17.44 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.391 -0.818 . . . . 0.0 109.079 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.4 ' C ' ' CD2' ' A' ' 44' ' ' HIS . 99.3 m-70 -97.19 158.49 15.42 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.236 -0.915 . . . . 0.0 109.805 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.551 ' ND1' ' O ' ' A' ' 117' ' ' GLY . 3.2 m80 -133.03 105.83 7.3 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.384 -0.823 . . . . 0.0 109.463 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.46 ' H ' HD11 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -120.35 134.85 55.19 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.316 -0.865 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.625 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -117.1 155.63 28.98 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.217 -0.927 . . . . 0.0 109.8 -179.767 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -122.99 172.5 8.46 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.439 -0.788 . . . . 0.0 109.33 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -113.86 -12.13 12.75 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.232 -0.918 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -130.89 119.87 22.8 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.293 -0.879 . . . . 0.0 109.324 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.651 ' CE2' ' OD1' ' A' ' 51' ' ' ASP . 20.7 p90 -49.3 -26.61 3.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.241 -0.912 . . . . 0.0 109.471 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.651 ' OD1' ' CE2' ' A' ' 50' ' ' PHE . 67.6 m-20 -67.81 -71.31 0.21 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.303 -0.873 . . . . 0.0 109.525 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.467 ' HA ' ' HZ3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -53.82 -26.8 25.96 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.193 -0.942 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.54 ' CD2' ' C ' ' A' ' 53' ' ' LEU . 6.2 tt -59.48 -50.46 73.83 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.32 -0.862 . . . . 0.0 109.476 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -65.59 -32.12 73.53 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.215 -0.928 . . . . 0.0 109.713 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.03 -63.2 1.11 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.129 -0.982 . . . . 0.0 109.714 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.24 -34.93 70.99 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.197 -0.939 . . . . 0.0 109.885 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.99 -39.21 76.03 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.165 -0.959 . . . . 0.0 109.523 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.7 t -67.62 -49.02 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.251 -0.906 . . . . 0.0 109.589 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -54.67 44.47 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.239 -0.913 . . . . 0.0 109.529 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.56 -36.03 32.63 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.245 -0.909 . . . . 0.0 109.406 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -74.75 -32.88 62.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.29 -0.881 . . . . 0.0 109.307 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -62.33 -40.01 94.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.355 -0.841 . . . . 0.0 109.329 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.6 mtt -59.54 -51.38 70.08 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.205 -0.934 . . . . 0.0 109.342 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 150.12 34.84 0.04 OUTLIER Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.418 ' CZ ' ' HE1' ' A' ' 88' ' ' MET . 18.0 m-85 -110.33 141.81 42.83 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.245 -1.15 . . . . 0.0 109.694 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.68 80.64 8.93 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.264 -0.897 . . . . 0.0 109.322 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.5 p -61.74 127.46 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.14 -0.975 . . . . 0.0 109.616 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.551 ' N ' ' O ' ' A' ' 85' ' ' ASP . 5.1 tp -102.57 142.98 32.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.303 -0.873 . . . . 0.0 109.253 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 68' ' ' LEU . 2.9 mm-40 -43.65 163.79 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.223 -0.923 . . . . 0.0 109.567 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.459 ' HB2' ' N ' ' A' ' 83' ' ' CYS . . . -112.56 171.18 7.68 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.222 -0.924 . . . . 0.0 109.581 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -128.75 142.72 50.91 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.309 -0.869 . . . . 0.0 109.348 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -52.09 136.31 29.79 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.232 -0.917 . . . . 0.0 109.454 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.48 0 O-C-N 121.318 -0.864 . . . . 0.0 109.493 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.5 mttt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 mt -106.47 174.9 5.69 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.349 -0.844 . . . . 0.0 109.517 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 mp -128.4 136.39 50.83 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.326 -0.859 . . . . 0.0 109.242 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.459 ' N ' ' HB2' ' A' ' 70' ' ' ALA . 16.1 m -124.73 100.1 6.47 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.216 -0.928 . . . . 0.0 109.942 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.547 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 2.2 p90 -90.78 143.5 26.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.171 -0.956 . . . . 0.0 108.743 179.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.551 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -103.04 161.97 13.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.131 -0.98 . . . . 0.0 110.044 -179.363 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -137.06 138.03 39.97 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.377 -0.827 . . . . 0.0 109.063 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.25 137.0 53.33 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.204 -0.935 . . . . 0.0 109.654 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.418 ' HE1' ' CZ ' ' A' ' 65' ' ' PHE . 1.1 tpt -139.6 121.11 15.12 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.288 -0.882 . . . . 0.0 109.454 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -81.61 120.63 25.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.263 -0.898 . . . . 0.0 109.412 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.59 178.45 8.28 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.299 -0.876 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -91.4 142.44 27.68 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.135 -0.978 . . . . 0.0 109.42 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.6 tp -55.3 103.16 0.08 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.326 -0.859 . . . . 0.0 109.629 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -156.2 126.05 6.42 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.179 -0.951 . . . . 0.0 109.562 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.36 -40.5 94.52 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.279 -0.888 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -62.31 -56.41 18.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.274 -0.891 . . . . 0.0 109.192 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.7 mp -51.71 -43.74 62.93 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.242 -0.911 . . . . 0.0 109.008 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 36.8 mt -64.58 -28.94 45.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.334 -0.854 . . . . 0.0 109.239 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -68.12 -52.84 30.31 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.34 -0.85 . . . . 0.0 109.573 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -59.65 -48.61 80.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.172 -0.955 . . . . 0.0 109.342 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -51.82 -52.64 47.73 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.298 -0.876 . . . . 0.0 109.435 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 102' ' ' GLU . 90.2 t -62.18 -59.29 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.236 -0.915 . . . . 0.0 109.629 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 101' ' ' VAL . 27.5 tt0 -44.18 -32.24 1.19 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.33 -0.856 . . . . 0.0 109.771 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -69.53 -49.53 53.62 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.275 -0.891 . . . . 0.0 109.519 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 23.2 mt -67.99 -25.15 65.27 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.29 -0.881 . . . . 0.0 109.452 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.7 t -71.52 -54.52 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.235 -0.916 . . . . 0.0 109.386 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.0 -47.91 83.5 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.293 -0.879 . . . . 0.0 109.371 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.4 HD21 ' N ' ' A' ' 108' ' ' ALA . 1.5 tt -61.75 -45.75 92.58 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.301 -0.874 . . . . 0.0 109.535 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.4 ' N ' HD21 ' A' ' 107' ' ' LEU . . . -47.15 -57.44 5.12 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.15 -0.969 . . . . 0.0 109.481 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.661 ' OE1' ' N ' ' A' ' 109' ' ' GLU . 1.0 OUTLIER -66.93 -20.31 65.88 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.251 -0.906 . . . . 0.0 109.498 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -68.69 -30.69 69.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.169 -0.957 . . . . 0.0 109.494 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.543 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 10.4 m-85 -102.58 -75.52 0.6 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.193 -0.942 . . . . 0.0 109.544 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.543 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 1.9 m-20 162.25 45.89 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.28 -0.888 . . . . 0.0 109.47 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.2 pt -127.0 151.63 34.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.115 -0.99 . . . . 0.0 109.386 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -98.01 110.17 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.308 -0.87 . . . . 0.0 109.609 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -89.73 127.62 35.97 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.246 -0.909 . . . . 0.0 109.338 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.466 ' O ' ' CG ' ' A' ' 116' ' ' ASP . 0.7 OUTLIER -178.12 81.16 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.127 -0.983 . . . . 0.0 109.488 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.551 ' O ' ' ND1' ' A' ' 44' ' ' HIS . . . 163.13 83.03 0.05 OUTLIER Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.464 ' O ' ' CG ' ' A' ' 118' ' ' TRP . 5.2 p-90 -121.35 132.23 54.65 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.266 -1.137 . . . . 0.0 109.281 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -139.48 165.1 25.87 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.09 150.83 48.27 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.334 -1.097 . . . . 0.0 109.363 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.239 -0.913 . . . . 0.0 109.469 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 12' ' ' GLU . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.649 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.519 ' CA ' ' OE1' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -44.03 -57.58 3.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.233 -0.917 . . . . 0.0 109.359 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 14' ' ' ILE . 62.7 mt -50.95 -60.44 3.08 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.224 -0.923 . . . . 0.0 109.415 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.433 HG23 ' NZ ' ' A' ' 18' ' ' LYS . 49.7 mt -45.3 -47.66 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.275 -0.89 . . . . 0.0 109.541 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.16 -51.0 65.71 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.261 -0.9 . . . . 0.0 109.292 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 83.4 mt -62.29 -24.34 34.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.232 -0.917 . . . . 0.0 109.177 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -73.75 -40.39 63.53 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.343 -0.848 . . . . 0.0 109.158 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.433 ' NZ ' HG23 ' A' ' 14' ' ' ILE . 8.6 mttt -63.81 -33.72 76.3 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.141 -0.974 . . . . 0.0 109.101 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 20' ' ' GLU . 20.6 mt-10 -72.89 -68.87 0.45 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.338 -0.851 . . . . 0.0 109.3 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 19' ' ' GLU . 1.2 tt0 -39.51 -65.39 0.39 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.25 -0.906 . . . . 0.0 109.345 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.519 ' O ' ' C ' ' A' ' 22' ' ' ARG . 2.7 m -44.07 -68.23 0.21 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.288 -0.882 . . . . 0.0 109.33 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.53 ' CG ' HH11 ' A' ' 22' ' ' ARG . 0.0 OUTLIER -37.53 -43.19 0.58 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.348 -0.845 . . . . 0.0 109.267 179.748 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.35 -46.7 87.5 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.222 -0.924 . . . . 0.0 109.59 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.486 ' O ' ' C ' ' A' ' 25' ' ' ILE . 74.7 mt -66.65 -59.4 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.3 -0.875 . . . . 0.0 109.271 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.486 ' C ' ' O ' ' A' ' 24' ' ' ILE . 9.0 mm -39.78 -47.24 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.214 -0.929 . . . . 0.0 109.285 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -57.92 -45.75 86.05 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.303 -0.873 . . . . 0.0 109.551 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . -61.63 -43.56 98.63 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.255 -0.903 . . . . 0.0 109.661 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.5 mt -65.67 -63.9 0.99 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.191 -0.943 . . . . 0.0 109.62 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 30' ' ' GLU . 1.6 mp -50.09 -62.38 1.61 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.163 -0.961 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.526 ' C ' ' OE1' ' A' ' 30' ' ' GLU . 0.7 OUTLIER -41.99 -50.33 4.6 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.186 -0.946 . . . . 0.0 109.334 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.416 ' N ' ' OE1' ' A' ' 30' ' ' GLU . 8.6 t70 -52.69 -43.52 65.66 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.241 -0.912 . . . . 0.0 109.505 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.51 ' O ' ' C ' ' A' ' 33' ' ' SER . . . 134.87 6.55 2.23 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.854 -1.299 . . . . 0.0 109.854 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.51 ' C ' ' O ' ' A' ' 32' ' ' GLY . 65.0 p -38.3 157.02 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.068 -1.254 . . . . 0.0 109.367 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.439 ' C ' ' H ' ' A' ' 36' ' ' ASP . 7.0 m-20 -122.05 91.77 48.9 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.218 -0.926 . . . . 0.0 109.446 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -61.5 2.82 0.44 Allowed 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.954 2.436 . . . . 0.0 112.25 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.439 ' H ' ' C ' ' A' ' 34' ' ' ASP . 3.0 t70 -86.06 -19.4 30.31 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.19 -0.944 . . . . 0.0 109.693 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.574 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -95.98 25.05 5.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.166 -0.959 . . . . 0.0 109.619 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.574 ' O ' ' O ' ' A' ' 37' ' ' ALA . 3.4 mt 56.59 146.08 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.148 -0.97 . . . . 0.0 109.409 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.455 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -117.92 167.96 10.95 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.255 -0.903 . . . . 0.0 109.462 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -121.92 135.19 54.86 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.237 -0.915 . . . . 0.0 109.505 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 42' ' ' GLU . 5.2 mp -128.89 151.46 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.288 -0.882 . . . . 0.0 109.4 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.414 ' N ' HG22 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -131.93 150.3 52.19 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.213 -0.929 . . . . 0.0 109.742 -179.766 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.425 ' ND1' HD12 ' A' ' 104' ' ' LEU . 15.7 m-70 -125.32 153.52 43.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.282 -0.886 . . . . 0.0 109.241 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -118.25 110.17 17.22 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.186 -0.946 . . . . 0.0 109.805 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.477 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 4.0 mp -124.13 130.81 53.18 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.246 -0.909 . . . . 0.0 109.209 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.717 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -118.8 163.06 17.44 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.102 -0.998 . . . . 0.0 109.899 -179.78 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.07 177.67 8.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.374 -0.829 . . . . 0.0 109.212 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.622 ' H ' ' CD ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -121.79 -4.73 9.16 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.256 -0.902 . . . . 0.0 109.561 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.533 ' O ' ' C ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -125.09 107.42 10.77 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.196 -0.94 . . . . 0.0 109.548 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.533 ' C ' ' O ' ' A' ' 49' ' ' ASP . 89.2 t80 -36.6 -45.63 0.53 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.208 -0.932 . . . . 0.0 109.365 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.561 ' CG ' ' NZ ' ' A' ' 55' ' ' LYS . 14.9 t0 -61.79 -69.01 0.27 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.235 -0.916 . . . . 0.0 109.234 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 51' ' ' ASP . 3.0 tppt? -40.7 -32.24 0.2 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.264 -0.897 . . . . 0.0 109.229 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 51' ' ' ASP . 6.5 tt -66.99 -51.11 59.19 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.27 -0.893 . . . . 0.0 109.382 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -60.93 -40.97 95.24 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.233 -0.917 . . . . 0.0 109.572 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.561 ' NZ ' ' CG ' ' A' ' 51' ' ' ASP . 47.5 mttp -54.85 -63.85 1.02 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.284 -0.885 . . . . 0.0 109.677 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.66 -45.41 85.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.267 -0.896 . . . . 0.0 109.566 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.94 -64.24 0.88 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.315 -0.866 . . . . 0.0 109.62 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.1 t -44.73 -44.21 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.199 -0.938 . . . . 0.0 109.452 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.79 -43.65 85.76 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.231 -0.918 . . . . 0.0 109.332 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.57 -45.2 84.22 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.288 -0.882 . . . . 0.0 109.438 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.579 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 5.2 t80 -66.7 -19.64 65.8 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.24 -0.912 . . . . 0.0 109.529 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.5 tttm -77.79 -38.34 46.86 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.196 -0.94 . . . . 0.0 109.375 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 17.8 mtm -68.46 -49.98 55.86 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.261 -0.9 . . . . 0.0 109.483 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 158.19 -16.14 0.29 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.706 -1.358 . . . . 0.0 109.706 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.491 ' CE2' ' SD ' ' A' ' 88' ' ' MET . 57.1 m-85 -64.95 131.47 46.72 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.295 -1.121 . . . . 0.0 109.692 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -86.07 102.17 13.6 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.288 -0.882 . . . . 0.0 109.167 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 9.5 p -63.31 139.71 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.2 -0.937 . . . . 0.0 109.796 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.67 ' N ' ' O ' ' A' ' 85' ' ' ASP . 4.9 mp -111.95 138.74 48.16 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.415 -0.803 . . . . 0.0 109.081 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 68' ' ' LEU . 2.6 mm-40 -41.23 146.95 0.16 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.248 -0.907 . . . . 0.0 109.896 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.73 -179.92 5.03 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.41 -0.806 . . . . 0.0 109.391 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.505 ' O ' ' C ' ' A' ' 72' ' ' GLU . 0.9 OUTLIER -145.16 107.08 4.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.247 -0.908 . . . . 0.0 109.296 179.879 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.602 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -37.91 114.25 0.34 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.237 -0.915 . . . . 0.0 109.189 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.489 1.518 0 O-C-N 121.203 -0.935 . . . . 0.0 109.413 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.0 tttp . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.268 0.556 . . . . 0.0 109.742 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 pp -141.53 173.06 11.86 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.325 -0.86 . . . . 0.0 109.284 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.42 ' CD1' ' N ' ' A' ' 82' ' ' LEU . 7.1 mp -112.99 136.83 52.24 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.211 -0.93 . . . . 0.0 109.411 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.568 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 30.5 p -126.7 102.27 6.99 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.277 -0.889 . . . . 0.0 109.626 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.483 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 6.7 p90 -94.69 149.14 21.55 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.222 -0.924 . . . . 0.0 109.194 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.67 ' O ' ' N ' ' A' ' 68' ' ' LEU . 3.3 t70 -113.27 147.21 38.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.16 -0.963 . . . . 0.0 109.99 -179.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -126.38 142.9 51.36 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.269 -0.894 . . . . 0.0 109.101 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.2 166.63 12.03 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.191 -0.943 . . . . 0.0 109.881 -179.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.491 ' SD ' ' CE2' ' A' ' 65' ' ' PHE . 14.6 ttm -167.23 135.1 2.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.322 -0.861 . . . . 0.0 109.208 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.58 146.52 23.6 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.156 -0.965 . . . . 0.0 109.729 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.411 ' HG ' ' CD1' ' A' ' 41' ' ' ILE . 90.7 p -154.38 -178.16 6.95 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.324 -0.86 . . . . 0.0 109.259 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.539 ' O ' ' C ' ' A' ' 92' ' ' LEU . . . -99.28 43.48 1.06 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.215 -0.928 . . . . 0.0 109.672 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.539 ' C ' ' O ' ' A' ' 91' ' ' ALA . 0.6 OUTLIER 36.11 93.2 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.278 -0.889 . . . . 0.0 109.496 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.499 ' O ' ' C ' ' A' ' 94' ' ' ALA . 0.4 OUTLIER -160.29 110.5 1.82 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.314 -0.866 . . . . 0.0 109.406 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.527 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -38.49 -68.42 0.16 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.203 -0.935 . . . . 0.0 109.492 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.527 ' C ' ' O ' ' A' ' 94' ' ' ALA . 41.1 tttp -34.26 -43.87 0.17 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.307 -0.87 . . . . 0.0 109.757 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.4 mp -69.9 -58.02 4.36 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.17 -0.956 . . . . 0.0 109.609 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 30.1 mt -49.45 -24.51 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.239 -0.913 . . . . 0.0 109.515 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.93 -57.57 3.88 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.275 -0.891 . . . . 0.0 109.614 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -55.87 -40.06 72.4 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.219 -0.926 . . . . 0.0 109.679 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.551 ' OE1' ' N ' ' A' ' 100' ' ' GLN . 2.1 mp0 -68.08 -53.23 27.06 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.203 -0.936 . . . . 0.0 109.711 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.2 t -57.83 -33.48 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.192 -0.942 . . . . 0.0 109.578 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -66.35 -39.26 89.07 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.245 -0.909 . . . . 0.0 109.513 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -60.79 -51.68 68.3 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.271 -0.893 . . . . 0.0 109.401 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.425 HD12 ' ND1' ' A' ' 43' ' ' HIS . 17.1 mt -61.28 -25.06 66.84 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.237 -0.915 . . . . 0.0 109.421 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.1 t -72.94 -61.8 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.248 -0.907 . . . . 0.0 109.508 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -55.2 -42.18 72.95 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.212 -0.93 . . . . 0.0 109.576 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.7 tp -66.33 -52.21 49.48 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.293 -0.88 . . . . 0.0 109.425 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.419 ' HA ' ' CG1' ' A' ' 113' ' ' ILE . . . -47.54 -56.36 7.27 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.328 -0.857 . . . . 0.0 110.137 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -66.64 -40.6 88.79 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.159 -0.963 . . . . 0.0 110.06 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -50.35 -28.48 8.05 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.189 -0.944 . . . . 0.0 109.919 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.5 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 9.0 m-85 -100.03 -74.73 0.59 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.092 -1.005 . . . . 0.0 109.519 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.9 OUTLIER 165.08 34.34 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.263 -0.898 . . . . 0.0 109.232 -179.797 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.419 ' CG1' ' HA ' ' A' ' 108' ' ' ALA . 30.7 pt -124.48 156.76 32.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.365 -0.834 . . . . 0.0 109.37 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.417 HG13 ' N ' ' A' ' 115' ' ' TYR . 0.3 OUTLIER -106.07 144.07 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.21 -0.931 . . . . 0.0 109.751 -179.658 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.671 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 2.0 t80 -120.04 90.23 3.29 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.333 -0.854 . . . . 0.0 109.144 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -136.57 78.9 1.73 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.185 -0.947 . . . . 0.0 109.492 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 167.02 79.79 0.04 OUTLIER Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.414 ' CD2' ' C ' ' A' ' 118' ' ' TRP . 3.3 p-90 -118.68 140.25 50.22 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.241 -1.152 . . . . 0.0 109.409 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -154.81 169.93 33.04 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.69 138.71 46.0 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.284 -1.127 . . . . 0.0 109.344 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 6.6 t80 . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.209 -0.932 . . . . 0.0 109.611 -179.934 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -71.53 -55.41 7.88 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.353 -0.842 . . . . 0.0 109.351 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.407 ' H ' ' HG ' ' A' ' 13' ' ' LEU . 31.2 mt -49.83 -52.44 32.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.308 -0.87 . . . . 0.0 109.241 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.41 -37.27 50.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.334 -0.854 . . . . 0.0 109.502 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.51 -57.21 7.8 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.371 -0.83 . . . . 0.0 109.756 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 67.9 mt -47.77 -54.43 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.28 -0.888 . . . . 0.0 109.681 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.458 ' O ' ' OG1' ' A' ' 21' ' ' THR . 1.0 OUTLIER -65.63 -18.4 65.29 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.178 -0.951 . . . . 0.0 109.693 -179.706 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -66.41 -45.58 79.47 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.132 -0.98 . . . . 0.0 109.184 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -74.02 -55.1 6.54 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.383 -0.823 . . . . 0.0 109.508 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -53.87 -46.02 71.19 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.216 -0.928 . . . . 0.0 109.656 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 17' ' ' GLN . 37.7 m -55.39 -50.74 68.95 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.224 -0.922 . . . . 0.0 109.548 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.699 ' CG ' HH11 ' A' ' 22' ' ' ARG . 0.0 OUTLIER -53.19 -43.87 67.51 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.213 -0.929 . . . . 0.0 109.614 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -59.16 -47.95 83.41 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.217 -0.927 . . . . 0.0 109.682 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 95.0 mt -58.32 -67.13 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.23 -0.919 . . . . 0.0 109.608 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.458 HD13 ' H ' ' A' ' 25' ' ' ILE . 1.4 mp -46.08 -44.11 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.159 -0.963 . . . . 0.0 109.493 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.565 ' O ' ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -50.9 -65.94 0.47 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.284 -0.885 . . . . 0.0 109.478 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 26' ' ' GLN . . . -39.0 -45.11 1.16 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.257 -0.902 . . . . 0.0 109.549 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 mt -64.94 -31.81 73.22 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.27 -0.894 . . . . 0.0 109.726 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.565 ' N ' ' O ' ' A' ' 26' ' ' GLN . 1.5 mp -71.04 -54.78 9.96 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.106 -0.996 . . . . 0.0 109.466 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -60.15 -18.95 51.35 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.206 -0.933 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -80.56 -30.37 37.01 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.272 -0.893 . . . . 0.0 109.506 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.14 16.56 2.35 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.4 t -66.93 131.06 45.11 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -1.165 . . . . 0.0 109.448 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -103.19 146.23 32.06 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.366 -0.833 . . . . 0.0 109.393 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -71.63 -11.15 27.72 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.788 2.325 . . . . 0.0 112.316 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.42 ' C ' ' OD1' ' A' ' 36' ' ' ASP . 56.5 p30 -100.82 1.67 40.37 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.193 -0.942 . . . . 0.0 109.554 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.482 ' O ' ' CB ' ' A' ' 38' ' ' LEU . . . -80.71 -25.04 38.38 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.266 -0.896 . . . . 0.0 109.464 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.482 ' CB ' ' O ' ' A' ' 37' ' ' ALA . 1.2 tp 73.98 140.9 0.06 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.189 -0.945 . . . . 0.0 109.202 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.445 ' CD1' ' HB2' ' A' ' 92' ' ' LEU . 10.4 m-85 -127.12 164.85 20.69 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.273 -0.892 . . . . 0.0 109.753 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -111.31 101.2 9.69 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.292 -0.88 . . . . 0.0 109.312 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.9 mm -74.85 131.12 35.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.267 -0.895 . . . . 0.0 109.584 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 119' ' ' GLY . 9.0 pt-20 -123.0 118.25 27.35 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.247 -0.908 . . . . 0.0 109.529 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.48 ' CD2' ' CD1' ' A' ' 104' ' ' LEU . 87.8 m-70 -103.55 155.51 18.48 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.256 -0.902 . . . . 0.0 109.48 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.489 ' CD2' ' SG ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER -133.25 104.88 6.68 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.243 -0.91 . . . . 0.0 109.549 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 mp -115.65 152.15 33.68 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.294 -0.878 . . . . 0.0 109.237 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.693 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -133.8 163.82 28.63 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.09 -1.006 . . . . 0.0 109.845 -179.716 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.13 176.67 10.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.372 -0.83 . . . . 0.0 109.284 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -112.69 -28.83 7.65 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.161 -0.962 . . . . 0.0 109.419 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 50' ' ' PHE . 1.2 m-20 -98.66 100.63 11.88 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.261 -0.899 . . . . 0.0 109.535 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' A' ' 49' ' ' ASP . 71.2 t80 -41.86 -42.96 2.86 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.182 -0.948 . . . . 0.0 109.452 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -60.32 3.57 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.189 -0.944 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.439 ' HB2' ' HZ2' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -57.36 -21.86 38.52 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.288 -0.882 . . . . 0.0 109.406 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.3 tt -69.09 -53.49 20.04 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.228 -0.92 . . . . 0.0 109.495 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.425 ' O ' ' CG2' ' A' ' 58' ' ' VAL . 1.8 mm-40 -63.1 -23.97 67.69 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.283 -0.885 . . . . 0.0 109.329 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -69.03 -60.8 2.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.285 -0.884 . . . . 0.0 109.227 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.23 86.75 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.23 -0.919 . . . . 0.0 109.227 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.5 -48.9 76.19 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.265 -0.897 . . . . 0.0 109.122 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' A' ' 54' ' ' GLU . 11.0 t -55.14 -46.75 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.241 -0.912 . . . . 0.0 109.227 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.548 ' O ' ' OE1' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -63.39 -34.42 77.7 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.286 -0.884 . . . . 0.0 109.335 179.857 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.498 ' O ' ' C ' ' A' ' 61' ' ' PHE . . . -69.75 -64.82 0.81 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.265 -0.897 . . . . 0.0 109.374 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.498 ' C ' ' O ' ' A' ' 60' ' ' ALA . 62.8 t80 -40.17 -39.43 0.91 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.26 -0.9 . . . . 0.0 109.167 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -65.32 -46.76 79.02 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.272 -0.893 . . . . 0.0 109.299 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 60' ' ' ALA . 7.5 tpp -45.75 -42.95 12.58 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.367 -0.833 . . . . 0.0 109.39 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.4 8.78 0.7 Allowed Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.755 ' CZ ' ' SD ' ' A' ' 88' ' ' MET . 8.9 m-85 -94.1 164.42 13.07 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.267 -1.137 . . . . 0.0 109.482 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.471 ' HB3' ' HG1' ' A' ' 87' ' ' THR . 0.6 OUTLIER -106.47 94.8 5.34 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.372 -0.83 . . . . 0.0 109.279 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.1 p -61.58 134.69 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.249 -0.907 . . . . 0.0 109.606 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.656 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -111.54 141.46 45.09 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.302 -0.874 . . . . 0.0 109.36 179.821 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 68' ' ' LEU . 5.9 mm-40 -44.39 158.37 0.05 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.272 -0.893 . . . . 0.0 109.445 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.96 177.67 5.03 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.238 -0.914 . . . . 0.0 109.534 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.597 ' O ' ' N ' ' A' ' 73' ' ' THR . 6.2 tt0 -144.09 106.98 4.47 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.202 -0.936 . . . . 0.0 109.491 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.525 ' C ' ' O ' ' A' ' 71' ' ' GLU . 14.1 mt-10 -36.33 93.81 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.275 -0.891 . . . . 0.0 109.292 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.597 ' N ' ' O ' ' A' ' 71' ' ' GLU . 7.9 t . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.249 -0.907 . . . . 0.0 109.753 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.45 146.36 13.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.257 -0.902 . . . . 0.0 109.599 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.452 HD13 ' N ' ' A' ' 82' ' ' LEU . 7.0 mp -84.69 137.18 33.39 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.289 -0.882 . . . . 0.0 109.29 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.489 ' SG ' ' CD2' ' A' ' 44' ' ' HIS . 23.6 t -129.28 101.25 5.91 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.182 -0.949 . . . . 0.0 109.772 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.55 ' N ' ' CD1' ' A' ' 84' ' ' PHE . 2.5 p90 -91.97 146.14 23.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.189 -0.945 . . . . 0.0 108.941 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.656 ' O ' ' N ' ' A' ' 68' ' ' LEU . 2.6 t70 -106.67 156.52 18.53 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.26 -0.9 . . . . 0.0 110.112 -179.307 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -127.4 152.65 47.24 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.471 ' HG1' ' HB3' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -130.31 147.0 51.98 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.048 -1.033 . . . . 0.0 109.967 -179.682 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.755 ' SD ' ' CZ ' ' A' ' 65' ' ' PHE . 3.4 ttt -154.79 104.81 2.54 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.411 -0.806 . . . . 0.0 109.306 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.03 113.14 7.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.268 -0.895 . . . . 0.0 109.488 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 24.4 p -141.82 -179.45 6.2 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.203 -0.936 . . . . 0.0 109.455 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.39 -175.11 0.76 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.236 -0.915 . . . . 0.0 109.542 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.445 ' HB2' ' CD1' ' A' ' 39' ' ' TYR . 40.7 tp -113.45 102.38 10.26 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.301 -0.875 . . . . 0.0 109.4 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -160.85 143.07 12.51 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.256 -0.903 . . . . 0.0 109.513 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.9 -50.31 50.71 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.306 -0.871 . . . . 0.0 109.517 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.43 ' O ' ' OE2' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -52.37 -51.05 61.02 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.247 -0.908 . . . . 0.0 109.35 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.61 -35.6 76.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.316 -0.865 . . . . 0.0 109.316 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 16.5 mt -71.67 -21.14 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.373 -0.829 . . . . 0.0 109.531 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -77.53 -37.24 51.3 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.261 -0.899 . . . . 0.0 109.234 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.43 ' OE2' ' O ' ' A' ' 95' ' ' LYS . 0.7 OUTLIER -68.63 -48.36 64.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.201 -0.937 . . . . 0.0 109.336 179.805 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.749 ' N ' HE21 ' A' ' 100' ' ' GLN . 0.0 OUTLIER -61.13 -51.78 67.63 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.263 -0.898 . . . . 0.0 109.026 179.717 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 78.7 t -60.89 -27.63 41.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.358 -0.839 . . . . 0.0 109.185 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -64.11 -42.8 96.73 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.286 -0.884 . . . . 0.0 109.157 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -63.07 -45.05 93.99 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.288 -0.882 . . . . 0.0 109.046 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.48 ' CD1' ' CD2' ' A' ' 43' ' ' HIS . 38.9 mt -65.64 -28.36 69.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.343 -0.848 . . . . 0.0 109.487 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.9 t -71.92 -57.31 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.264 -0.898 . . . . 0.0 109.588 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -61.93 -51.46 68.02 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.324 -0.86 . . . . 0.0 109.944 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.84 -46.27 74.6 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.152 -0.968 . . . . 0.0 109.761 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.79 -51.04 71.44 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.203 -0.936 . . . . 0.0 109.91 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.63 -22.63 67.02 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.155 -0.966 . . . . 0.0 109.731 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -78.71 -24.42 44.95 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.13 -0.981 . . . . 0.0 109.395 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.587 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 7.0 m-85 -95.19 -72.72 0.61 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.281 -0.887 . . . . 0.0 109.32 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.587 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 1.2 m-20 158.99 34.04 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.326 -0.858 . . . . 0.0 109.479 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.1 pt -125.08 168.85 17.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.211 -0.931 . . . . 0.0 109.247 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.2 tt -111.58 151.37 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.149 -0.97 . . . . 0.0 109.588 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.619 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 14.3 t80 -116.98 96.05 5.28 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.292 -0.88 . . . . 0.0 109.345 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -150.7 87.14 1.41 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.209 -0.932 . . . . 0.0 109.578 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 156.44 70.11 0.01 OUTLIER Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 7.7 p-90 -116.12 159.8 21.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.223 -1.163 . . . . 0.0 109.536 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.43 ' O ' ' CG ' ' A' ' 42' ' ' GLU . . . -167.81 169.95 41.56 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 5.0 t -136.64 138.53 41.24 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.238 -1.154 . . . . 0.0 109.41 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.29 -0.881 . . . . 0.0 109.675 -179.737 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.512 ' O ' ' OE2' ' A' ' 15' ' ' GLU . 43.9 tt0 . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.22 0.533 . . . . 0.0 109.562 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.81 -58.55 6.47 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.271 -0.893 . . . . 0.0 109.723 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.442 ' N ' HD21 ' A' ' 13' ' ' LEU . 6.2 mt -46.68 -46.2 19.9 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.305 -0.872 . . . . 0.0 109.971 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' GLU . 41.3 mt -57.66 -69.26 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.202 -0.936 . . . . 0.0 109.779 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.512 ' OE2' ' O ' ' A' ' 11' ' ' GLU . 0.7 OUTLIER -44.92 -41.54 7.3 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.155 -0.966 . . . . 0.0 109.763 -179.77 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.0 mt -61.07 -43.57 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.218 -0.926 . . . . 0.0 109.808 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -73.25 -13.58 61.17 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.192 -0.943 . . . . 0.0 109.738 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.416 ' CE ' ' OD2' ' A' ' 98' ' ' ASP . 15.2 mttt -78.7 -42.23 28.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.2 -0.938 . . . . 0.0 109.571 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -74.34 -43.47 56.46 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.24 -0.913 . . . . 0.0 109.53 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -60.94 -51.99 66.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.238 -0.913 . . . . 0.0 109.571 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.48 ' O ' ' C ' ' A' ' 22' ' ' ARG . 30.9 m -54.93 -59.47 4.69 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.242 -0.912 . . . . 0.0 109.703 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 21' ' ' THR . 0.5 OUTLIER -39.48 -49.91 2.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.243 -0.911 . . . . 0.0 109.61 -179.804 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -55.14 -43.54 74.28 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.2 -0.938 . . . . 0.0 109.723 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 25' ' ' ILE . 62.4 mt -65.02 -63.41 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.309 -0.87 . . . . 0.0 109.786 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.457 ' N ' HD12 ' A' ' 25' ' ' ILE . 5.6 mm -42.52 -50.37 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.199 -0.938 . . . . 0.0 109.703 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -57.68 -56.47 21.47 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.2 -0.937 . . . . 0.0 109.353 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.03 -51.25 13.96 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.322 -0.861 . . . . 0.0 109.647 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.575 ' O ' ' N ' ' A' ' 31' ' ' ASP . 7.9 mp -52.25 -61.47 2.25 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.173 -0.955 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 28' ' ' LEU . 2.6 mt -43.13 -49.52 6.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.224 -0.923 . . . . 0.0 109.192 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.88 -24.66 58.65 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.273 -0.892 . . . . 0.0 109.131 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.575 ' N ' ' O ' ' A' ' 28' ' ' LEU . 15.0 m-20 -81.25 -13.67 58.26 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.34 -0.85 . . . . 0.0 109.227 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.49 ' O ' ' OD1' ' A' ' 34' ' ' ASP . . . 93.34 13.09 56.48 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.729 -1.348 . . . . 0.0 109.729 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.2 t -61.98 84.89 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.149 -1.207 . . . . 0.0 109.405 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.49 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -50.14 131.9 23.72 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.232 -0.917 . . . . 0.0 109.406 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -71.38 -4.18 14.45 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 C-N-CA 122.507 2.138 . . . . 0.0 112.073 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -83.97 -5.43 59.22 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.332 -0.855 . . . . 0.0 109.405 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.57 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -91.77 7.96 39.35 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.194 -0.941 . . . . 0.0 109.641 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.57 ' O ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER 54.61 157.06 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.175 -0.953 . . . . 0.0 109.183 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -135.93 141.97 44.56 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.092 -1.005 . . . . 0.0 109.862 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -98.82 116.27 30.68 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.367 -0.833 . . . . 0.0 109.293 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mm -99.4 140.21 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.27 -0.894 . . . . 0.0 109.423 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -126.58 146.17 50.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.198 -0.939 . . . . 0.0 109.43 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.557 ' N ' ' CD2' ' A' ' 43' ' ' HIS . 2.2 m-70 -126.27 147.05 49.77 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.228 -0.92 . . . . 0.0 109.61 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -114.02 125.95 54.57 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.277 -0.89 . . . . 0.0 109.33 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.403 ' HB2' ' CE2' ' A' ' 84' ' ' PHE . 4.3 mp -133.83 136.2 44.28 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.209 -0.932 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.506 ' CD1' ' N ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -121.11 163.45 18.39 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.18 -0.95 . . . . 0.0 109.828 -179.788 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.82 179.99 7.08 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.43 -0.794 . . . . 0.0 109.447 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -122.38 -29.65 4.09 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.251 -0.906 . . . . 0.0 109.68 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.52 ' O ' ' C ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -107.7 101.17 10.5 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.177 -0.952 . . . . 0.0 109.619 -179.837 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.52 ' C ' ' O ' ' A' ' 49' ' ' ASP . 0.7 OUTLIER -34.61 -42.25 0.14 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.316 -0.865 . . . . 0.0 109.697 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -52.51 -76.12 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.156 -0.965 . . . . 0.0 109.38 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.39 -25.55 0.67 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.19 -0.943 . . . . 0.0 109.366 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.418 ' CD2' ' C ' ' A' ' 53' ' ' LEU . 3.3 tt -66.6 -55.98 12.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.36 -0.838 . . . . 0.0 109.566 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -60.96 -30.91 70.53 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.242 -0.912 . . . . 0.0 109.679 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -67.39 -59.42 3.41 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.136 -0.978 . . . . 0.0 109.587 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.54 -37.23 83.03 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.233 -0.917 . . . . 0.0 109.609 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.61 -48.75 76.03 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.209 -0.932 . . . . 0.0 109.607 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 41.0 t -54.45 -49.2 67.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.233 -0.917 . . . . 0.0 109.656 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.535 ' O ' ' C ' ' A' ' 60' ' ' ALA . 2.0 tp10 -57.91 -62.73 1.6 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.22 -0.925 . . . . 0.0 109.623 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.535 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . -34.79 -43.85 0.2 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.344 -0.848 . . . . 0.0 109.675 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -68.18 -57.73 5.56 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.146 -0.971 . . . . 0.0 109.533 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.5 mtpt -50.63 -20.77 1.3 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.236 -0.915 . . . . 0.0 109.584 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.7 tpp -74.68 -52.37 11.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.087 -1.008 . . . . 0.0 109.445 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 151.19 36.78 0.03 OUTLIER Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.511 -1.435 . . . . 0.0 109.511 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.624 ' CE2' ' SD ' ' A' ' 88' ' ' MET . 10.6 m-85 -124.0 156.58 36.18 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.349 -1.089 . . . . 0.0 109.607 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 67' ' ' VAL . 75.0 mt-10 -96.0 70.69 2.88 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.299 -0.876 . . . . 0.0 109.18 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 66' ' ' GLU . 7.2 p -44.54 156.78 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.316 -0.865 . . . . 0.0 109.707 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.67 ' N ' ' O ' ' A' ' 85' ' ' ASP . 1.3 tp -138.08 136.22 36.57 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.397 -0.814 . . . . 0.0 109.247 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 68' ' ' LEU . 5.6 mt-10 -44.55 162.65 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.157 -0.965 . . . . 0.0 109.611 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.421 ' HB1' ' H ' ' A' ' 83' ' ' CYS . . . -109.93 -179.92 3.93 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.26 -0.9 . . . . 0.0 109.465 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -135.11 -171.58 2.84 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.21 -0.931 . . . . 0.0 109.502 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -104.4 102.44 12.1 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.258 -0.901 . . . . 0.0 109.436 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.251 -0.905 . . . . 0.0 109.658 -179.873 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.1 tttp . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.439 ' N ' HD12 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -154.93 -163.54 1.59 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.196 -0.94 . . . . 0.0 109.581 -179.908 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 mp -126.62 143.07 51.34 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.249 -0.907 . . . . 0.0 109.74 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.421 ' H ' ' HB1' ' A' ' 70' ' ' ALA . 7.8 m -135.36 109.85 8.51 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.412 -0.805 . . . . 0.0 109.67 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.627 ' N ' ' CD1' ' A' ' 84' ' ' PHE . 1.0 OUTLIER -97.43 154.49 17.44 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.269 -0.895 . . . . 0.0 109.231 179.631 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.67 ' O ' ' N ' ' A' ' 68' ' ' LEU . 10.0 t70 -116.85 159.33 22.54 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.189 -0.944 . . . . 0.0 109.765 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -137.68 142.94 41.09 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.368 -0.833 . . . . 0.0 109.153 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.47 152.09 35.75 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.188 -0.945 . . . . 0.0 109.726 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.624 ' SD ' ' CE2' ' A' ' 65' ' ' PHE . 7.6 ttt -148.9 140.08 23.13 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.43 -0.794 . . . . 0.0 109.145 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.615 ' N ' ' CD ' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -107.78 116.24 31.59 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.093 -1.004 . . . . 0.0 109.573 -179.862 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.452 ' HG ' ' N ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -150.8 155.76 39.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.25 -0.906 . . . . 0.0 109.284 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.452 ' N ' ' HG ' ' A' ' 90' ' ' SER . . . -61.69 155.81 21.71 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.173 -0.954 . . . . 0.0 109.278 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.6 tp -72.53 98.74 2.36 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.188 -0.945 . . . . 0.0 109.444 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -146.0 127.69 15.24 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.145 -0.972 . . . . 0.0 109.607 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.9 -34.06 77.26 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.188 -0.945 . . . . 0.0 109.266 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -57.96 -51.28 70.31 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.303 -0.873 . . . . 0.0 109.184 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 98' ' ' ASP . 8.6 tp -64.04 -68.5 0.35 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.284 -0.885 . . . . 0.0 109.11 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.535 ' C ' ' O ' ' A' ' 96' ' ' LEU . 91.6 mt -36.4 -32.51 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.257 -0.902 . . . . 0.0 109.22 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.535 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -66.65 -56.45 10.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.264 -0.898 . . . . 0.0 109.297 179.908 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -63.56 -37.31 86.84 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.266 -0.896 . . . . 0.0 109.149 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -58.33 -53.58 56.74 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.33 -0.856 . . . . 0.0 109.137 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' A' ' 102' ' ' GLU . 21.1 t -66.09 -58.88 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.361 -0.837 . . . . 0.0 109.329 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 101' ' ' VAL . 21.8 tt0 -39.5 -32.72 0.13 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.212 -0.93 . . . . 0.0 109.335 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 101' ' ' VAL . 3.2 mmtt -76.13 -60.6 2.26 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.279 -0.888 . . . . 0.0 109.229 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 27.8 mt -50.38 -23.72 2.56 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.279 -0.888 . . . . 0.0 109.332 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 78.1 t -75.29 -61.2 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.327 -0.858 . . . . 0.0 109.376 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -49.88 -47.71 51.79 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.174 -0.954 . . . . 0.0 109.271 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 108' ' ' ALA . 0.8 OUTLIER -57.29 -57.5 12.34 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.229 -0.919 . . . . 0.0 109.464 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 107' ' ' LEU . . . -41.44 -62.41 0.87 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.132 -0.98 . . . . 0.0 109.562 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -55.3 -38.4 68.6 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.319 -0.863 . . . . 0.0 109.717 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.4 tttp -50.37 -35.68 29.09 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.152 -0.968 . . . . 0.0 109.652 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 77.8 m-85 -96.54 -77.12 0.49 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.23 -0.919 . . . . 0.0 109.725 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.7 OUTLIER 166.02 32.42 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.252 -0.905 . . . . 0.0 109.601 -179.911 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 25.1 pt -115.94 174.85 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.222 -0.924 . . . . 0.0 109.281 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.415 HG13 ' N ' ' A' ' 115' ' ' TYR . 0.6 OUTLIER -118.22 146.15 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.248 -0.907 . . . . 0.0 109.751 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.692 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 1.3 t80 -114.88 100.11 7.97 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.438 -0.789 . . . . 0.0 108.959 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -150.84 82.87 1.34 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.18 -0.95 . . . . 0.0 109.642 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 161.54 73.06 0.02 OUTLIER Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.739 -1.345 . . . . 0.0 109.739 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 5.4 p-90 -118.02 155.8 29.67 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.208 -1.172 . . . . 0.0 109.341 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 170.97 156.14 11.25 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 5.3 t -113.35 176.55 4.97 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.258 -1.142 . . . . 0.0 109.486 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.185 -0.947 . . . . 0.0 109.545 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.457 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 5.2 pt-20 -58.32 -29.55 65.99 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.143 -0.973 . . . . 0.0 109.172 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 14' ' ' ILE . 77.5 mt -72.83 -61.82 1.67 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.194 -0.941 . . . . 0.0 108.979 179.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' LEU . 10.5 mt -43.74 -43.83 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.435 -0.791 . . . . 0.0 109.321 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -56.08 -58.43 7.95 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.209 -0.932 . . . . 0.0 109.192 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.9 mt -51.06 -51.41 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.318 -0.864 . . . . 0.0 109.387 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.53 -48.09 66.3 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.296 -0.878 . . . . 0.0 109.389 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.17 -47.66 71.76 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.163 -0.961 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 20' ' ' GLU . 1.7 mm-40 -56.48 -68.73 0.19 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.289 -0.882 . . . . 0.0 109.45 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' A' ' 21' ' ' THR . 40.2 mt-10 -43.61 -63.33 0.86 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.265 -0.897 . . . . 0.0 109.143 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.504 ' O ' ' C ' ' A' ' 22' ' ' ARG . 9.0 m -38.91 -66.97 0.24 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.32 -0.862 . . . . 0.0 109.35 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.504 ' C ' ' O ' ' A' ' 21' ' ' THR . 0.6 OUTLIER -38.8 -48.82 1.57 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.233 -0.917 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -55.81 -54.7 41.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.295 -0.878 . . . . 0.0 109.485 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.453 ' O ' ' C ' ' A' ' 25' ' ' ILE . 83.0 mt -58.11 -64.35 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.243 -0.91 . . . . 0.0 109.459 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.453 ' C ' ' O ' ' A' ' 24' ' ' ILE . 15.8 mm -41.27 -46.53 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.277 -0.89 . . . . 0.0 109.604 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -57.82 -43.0 85.48 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.279 -0.888 . . . . 0.0 109.747 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.64 -43.74 98.04 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.152 -0.968 . . . . 0.0 109.712 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.2 mt -60.7 -51.88 67.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.226 -0.921 . . . . 0.0 109.721 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.2 mt -56.68 -55.83 29.17 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.185 -0.947 . . . . 0.0 109.521 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -49.26 -28.56 4.8 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.346 -0.847 . . . . 0.0 109.434 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -72.72 -18.08 61.56 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.271 -0.893 . . . . 0.0 109.45 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.461 ' O ' ' O ' ' A' ' 33' ' ' SER . . . 79.43 37.73 23.26 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.59 ' OG ' ' N ' ' A' ' 34' ' ' ASP . 2.0 p -60.71 -143.4 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.268 -1.136 . . . . 0.0 109.465 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.59 ' N ' ' OG ' ' A' ' 33' ' ' SER . 0.6 OUTLIER -144.15 69.99 16.2 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.194 -0.942 . . . . 0.0 109.546 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -54.64 -8.3 1.2 Allowed 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.816 2.344 . . . . 0.0 112.141 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -83.59 -24.55 31.47 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.274 -0.891 . . . . 0.0 109.632 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.503 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -86.92 28.57 0.89 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.188 -0.945 . . . . 0.0 109.504 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.503 ' O ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER 55.14 162.51 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.169 -0.957 . . . . 0.0 109.251 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.429 ' H ' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -131.74 167.99 18.55 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.241 -0.912 . . . . 0.0 109.54 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -123.19 124.79 43.82 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.333 -0.854 . . . . 0.0 109.49 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.446 HG23 ' NE2' ' A' ' 43' ' ' HIS . 1.8 mp -104.6 154.16 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.21 -0.931 . . . . 0.0 109.37 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.403 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 17.2 tt0 -133.33 118.76 18.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.28 -0.887 . . . . 0.0 109.605 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.446 ' NE2' HG23 ' A' ' 41' ' ' ILE . 10.0 m-70 -102.06 152.48 20.93 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.361 -0.837 . . . . 0.0 109.36 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.457 ' CE1' ' OD1' ' A' ' 85' ' ' ASP . 0.2 OUTLIER -123.46 129.97 52.01 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.267 -0.895 . . . . 0.0 109.338 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 45' ' ' LEU . 5.7 mp -141.7 138.3 32.33 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.232 -0.917 . . . . 0.0 109.456 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.694 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -125.87 171.69 10.5 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.24 -0.912 . . . . 0.0 109.594 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.59 172.62 17.55 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.397 -0.814 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -112.75 -23.5 10.13 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.297 -0.877 . . . . 0.0 109.326 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.52 ' O ' ' C ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -102.38 91.9 4.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.268 -0.895 . . . . 0.0 109.264 179.868 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.701 ' CD1' ' N ' ' A' ' 51' ' ' ASP . 1.3 p90 -37.16 -42.67 0.46 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.207 -0.933 . . . . 0.0 109.481 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.701 ' N ' ' CD1' ' A' ' 50' ' ' PHE . 54.3 t0 -55.14 -66.79 0.35 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.26 -0.9 . . . . 0.0 109.379 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.49 -32.74 28.49 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.165 -0.96 . . . . 0.0 109.272 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.6 tt -58.76 -52.24 66.56 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.261 -0.899 . . . . 0.0 109.476 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -57.12 -35.16 69.13 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.306 -0.871 . . . . 0.0 109.698 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -62.86 -68.39 0.34 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.194 -0.941 . . . . 0.0 110.003 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.45 -21.71 27.31 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.162 -0.961 . . . . 0.0 110.17 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.05 -51.59 10.07 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.041 -1.037 . . . . 0.0 109.68 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.9 t -59.1 -27.21 35.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.323 -0.861 . . . . 0.0 109.873 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.61 -52.22 12.34 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.078 -1.014 . . . . 0.0 109.446 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.36 -42.35 81.88 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.195 -0.94 . . . . 0.0 109.395 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -65.2 -36.99 85.9 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.277 -0.89 . . . . 0.0 109.341 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -74.5 -17.76 60.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.276 -0.89 . . . . 0.0 109.456 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 5.5 ttm -76.4 -52.14 10.47 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.286 -0.883 . . . . 0.0 109.381 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 159.26 1.04 0.08 OUTLIER Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.431 -1.467 . . . . 0.0 109.431 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.452 ' CZ ' ' HE3' ' A' ' 88' ' ' MET . 54.0 m-85 -83.66 169.04 15.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.266 -1.137 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -115.9 81.63 1.63 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.203 -0.936 . . . . 0.0 109.156 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.0 p -55.93 139.93 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.333 -0.855 . . . . 0.0 110.031 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.671 ' N ' ' O ' ' A' ' 85' ' ' ASP . 1.0 OUTLIER -118.87 140.07 50.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.413 -0.804 . . . . 0.0 108.886 179.597 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 68' ' ' LEU . 17.1 mt-10 -42.22 149.77 0.15 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.15 -0.969 . . . . 0.0 109.502 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -95.37 175.48 6.56 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.286 -0.884 . . . . 0.0 109.795 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.529 ' O ' ' C ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -132.32 98.09 4.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.432 -0.793 . . . . 0.0 109.413 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.529 ' C ' ' O ' ' A' ' 71' ' ' GLU . 19.3 mt-10 -36.8 109.18 0.09 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.262 -0.899 . . . . 0.0 109.485 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.466 ' CG2' ' SG ' ' A' ' 83' ' ' CYS . 8.9 t . . . . . 0 N--CA 1.489 1.525 0 O-C-N 121.253 -0.904 . . . . 0.0 109.428 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.6 pttp . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.43 -169.3 3.1 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.172 -0.955 . . . . 0.0 109.737 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.6 mp -121.72 142.3 50.31 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.28 -0.887 . . . . 0.0 109.428 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.466 ' SG ' ' CG2' ' A' ' 73' ' ' THR . 0.0 OUTLIER -133.28 105.22 6.85 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.259 -0.901 . . . . 0.0 109.78 -179.853 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.616 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 1.0 OUTLIER -93.83 155.74 17.04 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.165 -0.959 . . . . 0.0 109.207 179.684 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.671 ' O ' ' N ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -111.67 147.56 35.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.213 -0.929 . . . . 0.0 109.877 -179.571 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -126.77 122.47 34.9 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.248 -0.908 . . . . 0.0 109.278 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.96 158.25 16.67 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.232 -0.917 . . . . 0.0 109.679 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.495 ' C ' ' NE2' ' A' ' 89' ' ' GLN . 2.1 ttm -159.5 142.41 14.08 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.243 -0.91 . . . . 0.0 109.484 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLN . . . . . 0.576 ' NE2' ' N ' ' A' ' 89' ' ' GLN . 2.1 mm-40 -92.4 121.08 33.53 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.129 -0.982 . . . . 0.0 109.326 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.81 154.23 38.1 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.284 -0.885 . . . . 0.0 109.534 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.14 152.71 43.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.207 -0.933 . . . . 0.0 109.489 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.1 tp -70.21 118.49 13.11 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.299 -0.876 . . . . 0.0 109.613 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -172.23 135.21 0.75 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.279 -0.888 . . . . 0.0 109.367 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.502 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -65.36 -68.74 0.34 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.252 -0.905 . . . . 0.0 109.458 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 94' ' ' ALA . 0.3 OUTLIER -37.12 -39.68 0.26 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.291 -0.88 . . . . 0.0 109.423 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.8 mp -60.61 -61.27 2.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.296 -0.878 . . . . 0.0 109.454 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.3 mt -55.02 -28.48 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.215 -0.928 . . . . 0.0 109.612 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -64.38 -54.5 31.87 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.199 -0.938 . . . . 0.0 109.385 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -61.22 -45.6 93.9 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.215 -0.928 . . . . 0.0 109.412 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -56.06 -59.17 5.29 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.204 -0.935 . . . . 0.0 109.449 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 102' ' ' GLU . 97.9 t -50.27 -53.44 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.195 -0.941 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 101' ' ' VAL . 23.8 tt0 -41.58 -43.71 2.81 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.259 -0.901 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -66.88 -58.43 5.02 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.294 -0.879 . . . . 0.0 109.396 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 32.2 mt -50.56 -18.67 0.72 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.283 -0.885 . . . . 0.0 109.077 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 95.8 t -84.97 -69.21 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.388 -0.82 . . . . 0.0 109.229 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -47.47 -34.45 7.37 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.19 -0.944 . . . . 0.0 108.976 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.04 -51.76 23.47 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.416 -0.802 . . . . 0.0 109.186 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.78 -54.38 39.01 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.281 -0.887 . . . . 0.0 109.13 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -58.76 -29.95 67.17 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.357 -0.839 . . . . 0.0 109.357 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.72 -29.6 70.16 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.304 -0.872 . . . . 0.0 109.375 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.593 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 58.9 m-85 -100.63 -77.42 0.54 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.25 -0.906 . . . . 0.0 109.392 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.593 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 1.3 m-20 158.99 36.19 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.252 -0.905 . . . . 0.0 109.735 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 6.0 pt -114.64 156.15 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.077 -1.015 . . . . 0.0 109.449 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.464 HG22 ' CE2' ' A' ' 46' ' ' PHE . 1.0 OUTLIER -97.95 106.62 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.298 -0.876 . . . . 0.0 109.768 -179.581 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' TYR . . . . . 0.415 ' CE2' HG12 ' A' ' 101' ' ' VAL . 2.5 t80 -85.29 109.19 18.19 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.187 -0.945 . . . . 0.0 109.228 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.482 ' C ' ' OD1' ' A' ' 116' ' ' ASP . 36.6 t0 -164.57 85.1 0.42 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.188 -0.945 . . . . 0.0 109.467 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 160.75 72.69 0.02 OUTLIER Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 7.1 p-90 -118.04 143.76 46.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.241 -1.152 . . . . 0.0 109.395 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -169.48 174.63 43.83 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.1 t -144.29 171.09 14.79 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.179 -1.189 . . . . 0.0 109.474 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 13.7 p90 . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.316 -0.865 . . . . 0.0 109.398 179.771 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.455 ' O ' ' C ' ' A' ' 2' ' ' SER . 34.4 mtt . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.466 ' O ' ' OG ' ' A' ' 2' ' ' SER . 26.8 p 42.18 85.02 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.16 -0.963 . . . . 0.0 109.411 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.601 ' N ' ' ND1' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -80.11 43.8 0.64 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.306 -0.871 . . . . 0.0 109.509 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -91.27 68.52 5.94 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.201 -0.937 . . . . 0.0 109.427 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -153.62 67.61 0.76 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.202 -0.937 . . . . 0.0 109.463 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.35 78.8 1.7 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.208 -0.932 . . . . 0.0 109.471 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.482 ' CD1' ' N ' ' A' ' 7' ' ' TYR . 0.5 OUTLIER -89.34 95.87 10.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.252 -0.905 . . . . 0.0 109.56 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.439 ' O ' ' OG ' ' A' ' 9' ' ' SER . 8.3 tp -143.45 72.49 1.36 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.179 -0.951 . . . . 0.0 109.404 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.543 ' O ' ' C ' ' A' ' 10' ' ' VAL . 46.2 m -170.18 60.14 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.259 -0.9 . . . . 0.0 109.356 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.543 ' C ' ' O ' ' A' ' 9' ' ' SER . 20.3 m -34.63 -36.94 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.42 -0.8 . . . . 0.0 109.6 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 9' ' ' SER . 12.8 mt-10 -47.93 -37.09 13.59 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.242 -0.911 . . . . 0.0 109.476 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 9' ' ' SER . 3.3 mm-40 -73.69 -56.15 5.37 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.262 -0.899 . . . . 0.0 109.48 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.442 ' N ' HD21 ' A' ' 13' ' ' LEU . 4.1 mt -51.14 -43.6 61.23 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.217 -0.927 . . . . 0.0 109.43 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.2 mt -58.38 -47.03 89.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.285 -0.884 . . . . 0.0 109.38 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.74 -59.43 5.03 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.287 -0.883 . . . . 0.0 109.355 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.517 ' O ' ' C ' ' A' ' 17' ' ' GLN . 67.6 mt -45.92 -75.53 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.276 -0.89 . . . . 0.0 109.548 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.576 ' O ' ' OG1' ' A' ' 21' ' ' THR . 1.3 tp60 -35.93 -35.41 0.07 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.31 -0.869 . . . . 0.0 109.542 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 16' ' ' ILE . 1.0 OUTLIER -57.18 -58.68 7.16 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.172 -0.955 . . . . 0.0 109.563 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 20' ' ' GLU . 9.9 tt0 -65.32 -62.84 1.3 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.27 -0.894 . . . . 0.0 109.509 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.483 ' O ' ' C ' ' A' ' 21' ' ' THR . 12.1 mt-10 -40.05 -67.39 0.23 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.243 -0.911 . . . . 0.0 109.638 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.576 ' OG1' ' O ' ' A' ' 17' ' ' GLN . 10.0 m -38.31 -61.13 0.71 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.186 -0.946 . . . . 0.0 109.536 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' THR . 10.3 mmm180 -44.2 -52.89 7.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.249 -0.907 . . . . 0.0 109.42 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -49.73 -51.49 38.47 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.232 -0.918 . . . . 0.0 109.46 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.81 -57.25 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.282 -0.886 . . . . 0.0 109.446 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 8.1 mm -46.94 -40.22 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.265 -0.897 . . . . 0.0 109.37 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -57.62 -52.42 65.51 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.286 -0.883 . . . . 0.0 109.381 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.92 -55.07 37.37 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.237 -0.914 . . . . 0.0 109.352 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.48 -48.18 38.06 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.236 -0.915 . . . . 0.0 109.25 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.65 ' O ' ' N ' ' A' ' 32' ' ' GLY . 5.4 mt -62.39 -66.67 0.51 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.319 -0.863 . . . . 0.0 109.286 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.538 ' C ' ' O ' ' A' ' 29' ' ' LEU . 3.6 tt0 -36.19 -36.96 0.1 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.248 -0.908 . . . . 0.0 109.297 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' LEU . 10.0 t70 -58.42 -31.32 67.62 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.234 -0.916 . . . . 0.0 109.266 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.65 ' N ' ' O ' ' A' ' 29' ' ' LEU . . . 121.75 2.43 10.46 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.3 m -51.18 169.99 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.235 -1.156 . . . . 0.0 109.518 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -132.68 147.15 64.4 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.146 -0.971 . . . . 0.0 109.531 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -70.92 -15.88 32.71 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.714 2.276 . . . . 0.0 112.223 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.64 ' OD1' ' N ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -94.82 -7.01 41.56 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.234 -0.916 . . . . 0.0 109.362 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.563 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -69.9 -9.01 53.41 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.313 -0.867 . . . . 0.0 109.53 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.563 ' O ' ' O ' ' A' ' 37' ' ' ALA . 5.0 mt 56.75 125.33 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.256 -0.902 . . . . 0.0 109.266 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -117.79 147.92 42.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.244 -0.91 . . . . 0.0 109.827 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -98.95 109.32 22.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.338 -0.851 . . . . 0.0 109.128 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.469 HG22 ' CE1' ' A' ' 43' ' ' HIS . 4.1 mm -76.45 145.81 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.213 -0.929 . . . . 0.0 109.679 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -126.28 139.23 53.48 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.339 -0.851 . . . . 0.0 109.45 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.469 ' CE1' HG22 ' A' ' 41' ' ' ILE . 10.0 m-70 -135.24 132.66 38.12 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.261 -0.899 . . . . 0.0 109.411 179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -101.35 131.3 47.48 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.155 -0.966 . . . . 0.0 109.57 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 mp -137.41 132.73 33.89 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.229 -0.919 . . . . 0.0 109.183 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.698 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -127.36 160.07 32.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.142 -0.974 . . . . 0.0 109.891 -179.776 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.83 177.22 8.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.408 -0.807 . . . . 0.0 109.589 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -113.61 -14.43 12.64 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.246 -0.909 . . . . 0.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.74 119.64 40.01 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.224 -0.922 . . . . 0.0 109.325 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.417 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -52.57 -41.77 63.88 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.209 -0.932 . . . . 0.0 109.446 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.452 ' C ' ' OD1' ' A' ' 51' ' ' ASP . 27.8 t0 -71.12 -60.78 2.05 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.276 -0.89 . . . . 0.0 109.494 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.95 -32.76 2.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.179 -0.95 . . . . 0.0 109.094 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.441 ' HG ' ' CE1' ' A' ' 84' ' ' PHE . 6.1 tt -63.98 -67.33 0.44 Allowed 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.469 -0.769 . . . . 0.0 109.382 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -51.37 -23.04 3.35 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.238 -0.914 . . . . 0.0 109.26 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.0 -60.06 2.44 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.301 -0.874 . . . . 0.0 109.341 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.08 -32.91 74.64 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.265 -0.897 . . . . 0.0 109.463 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.45 -33.92 76.12 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.316 -0.865 . . . . 0.0 109.459 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -68.66 -52.86 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.215 -0.928 . . . . 0.0 109.271 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -52.62 -56.08 17.92 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.161 -0.962 . . . . 0.0 109.322 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.03 -59.13 3.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.232 -0.917 . . . . 0.0 109.474 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.65 -26.3 55.82 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.269 -0.894 . . . . 0.0 109.626 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -67.46 -40.11 85.35 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.221 -0.924 . . . . 0.0 109.386 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 9.3 mtm -66.27 -56.18 12.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.227 -0.921 . . . . 0.0 109.405 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 158.32 49.36 0.01 OUTLIER Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.497 ' CZ ' ' SD ' ' A' ' 88' ' ' MET . 40.0 m-85 -123.96 132.36 53.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.201 -1.176 . . . . 0.0 109.523 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -72.39 78.22 1.02 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.22 -0.925 . . . . 0.0 109.481 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.7 p -57.61 140.07 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.262 -0.899 . . . . 0.0 109.485 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.607 ' N ' ' O ' ' A' ' 85' ' ' ASP . 1.8 tp -115.27 141.19 48.36 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.264 -0.898 . . . . 0.0 109.552 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -52.63 150.69 4.88 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.245 -0.91 . . . . 0.0 109.472 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -96.5 179.92 4.84 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.31 -0.869 . . . . 0.0 109.599 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.538 ' O ' ' C ' ' A' ' 72' ' ' GLU . 8.2 tt0 -158.43 146.66 18.51 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.338 -0.851 . . . . 0.0 109.268 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.614 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -35.41 117.95 0.44 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.256 -0.903 . . . . 0.0 109.421 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.34 170.9 8.34 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.258 -0.901 . . . . 0.0 109.77 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.494 ' OE1' ' O ' ' A' ' 74' ' ' GLU . 0.9 OUTLIER -140.12 122.62 16.16 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.343 -0.848 . . . . 0.0 109.23 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.669 ' O ' ' N ' ' A' ' 77' ' ' ASP . 0.8 OUTLIER -120.25 52.23 1.16 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.162 -0.961 . . . . 0.0 109.596 -179.858 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.517 ' C ' ' O ' ' A' ' 75' ' ' ASP . 2.7 mp0 37.89 22.46 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 0.0 109.394 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.669 ' N ' ' O ' ' A' ' 75' ' ' ASP . 9.4 t70 -154.46 -9.63 0.14 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.305 -0.872 . . . . 0.0 109.583 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.578 ' C ' ' H ' ' A' ' 80' ' ' LYS . . . -126.43 -43.8 0.26 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 65.86 -9.54 0.27 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.199 -1.177 . . . . 0.0 109.367 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.578 ' H ' ' C ' ' A' ' 78' ' ' GLY . 0.2 OUTLIER -165.64 76.12 0.24 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.335 -0.853 . . . . 0.0 109.399 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.81 163.97 21.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.246 -0.908 . . . . 0.0 109.65 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.5 mp -95.15 132.0 40.56 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.352 -0.843 . . . . 0.0 109.532 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 37.0 t -134.06 108.32 8.27 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.245 -0.909 . . . . 0.0 110.084 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.63 ' N ' ' CD1' ' A' ' 84' ' ' PHE . 0.7 OUTLIER -98.64 166.46 11.32 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.217 -0.927 . . . . 0.0 109.009 179.375 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.607 ' O ' ' N ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -125.57 153.89 43.01 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.153 -0.967 . . . . 0.0 109.924 -179.495 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -127.58 141.2 51.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.403 -0.811 . . . . 0.0 109.299 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.38 160.34 28.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.247 -0.908 . . . . 0.0 109.494 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.505 ' SD ' ' NE2' ' A' ' 100' ' ' GLN . 8.1 ttt -158.48 119.57 3.41 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.318 -0.864 . . . . 0.0 109.517 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -74.02 129.02 37.04 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.259 -0.901 . . . . 0.0 109.348 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.439 ' HG ' ' CD2' ' A' ' 96' ' ' LEU . 4.6 p -166.59 156.48 11.62 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.254 -0.904 . . . . 0.0 109.709 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.76 174.78 0.74 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.304 -0.872 . . . . 0.0 109.409 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.0 tp -92.88 100.29 12.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.291 -0.88 . . . . 0.0 109.298 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -145.49 137.47 25.48 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.184 -0.948 . . . . 0.0 109.528 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.454 ' O ' ' CG ' ' A' ' 98' ' ' ASP . . . -68.44 -39.0 81.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.213 -0.929 . . . . 0.0 109.294 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -61.36 -47.69 84.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.232 -0.917 . . . . 0.0 109.232 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.439 ' CD2' ' HG ' ' A' ' 90' ' ' SER . 5.0 tt -64.03 -61.69 2.11 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.289 -0.882 . . . . 0.0 109.218 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.411 HG21 ' CZ3' ' A' ' 118' ' ' TRP . 38.6 mt -46.03 -40.98 3.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.265 -0.897 . . . . 0.0 109.197 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.454 ' CG ' ' O ' ' A' ' 94' ' ' ALA . 45.0 m-20 -62.36 -34.74 77.27 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.294 -0.879 . . . . 0.0 109.234 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 96' ' ' LEU . 3.6 mm-40 -66.9 -52.98 36.68 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.293 -0.88 . . . . 0.0 109.519 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.505 ' NE2' ' SD ' ' A' ' 88' ' ' MET . 91.2 mt-30 -50.32 -36.3 31.32 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.156 -0.965 . . . . 0.0 109.292 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 55.6 t -72.7 -33.2 43.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.29 -0.881 . . . . 0.0 109.472 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.457 ' O ' ' OD1' ' A' ' 106' ' ' ASN . 0.7 OUTLIER -68.93 -41.91 77.48 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.246 -0.909 . . . . 0.0 109.521 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.8 mttp -70.91 -47.84 56.92 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.149 -0.969 . . . . 0.0 109.627 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 48.4 mt -63.81 -34.34 77.69 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.211 -0.931 . . . . 0.0 109.568 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.451 HG22 ' CD2' ' A' ' 115' ' ' TYR . 4.9 t -70.58 -56.78 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.166 -0.959 . . . . 0.0 109.544 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.457 ' OD1' ' O ' ' A' ' 102' ' ' GLU . 2.0 m120 -55.04 -42.84 73.16 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.19 -0.943 . . . . 0.0 109.42 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.1 tt -66.76 -40.95 88.43 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.255 -0.903 . . . . 0.0 109.398 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.64 -54.96 41.19 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.251 -0.906 . . . . 0.0 109.578 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -65.78 -21.48 66.5 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.294 -0.879 . . . . 0.0 109.457 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -72.86 -27.43 61.91 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.27 -0.894 . . . . 0.0 109.627 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.508 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 8.3 m-85 -98.46 -76.97 0.52 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.217 -0.927 . . . . 0.0 109.651 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.508 ' OD1' ' O ' ' A' ' 111' ' ' PHE . 0.4 OUTLIER 166.08 33.43 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.105 -0.997 . . . . 0.0 109.634 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.5 pt -116.88 178.05 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.219 -0.926 . . . . 0.0 109.538 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.47 110.05 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.224 -0.922 . . . . 0.0 109.478 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.463 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 1.1 t80 -89.98 117.12 28.54 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.246 -0.909 . . . . 0.0 109.257 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -158.86 73.62 0.62 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.178 -0.951 . . . . 0.0 109.661 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 171.58 95.49 0.1 OUTLIER Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.641 -1.383 . . . . 0.0 109.641 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.433 ' O ' ' CG ' ' A' ' 118' ' ' TRP . 1.2 p-90 -124.37 133.68 53.36 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.173 -1.192 . . . . 0.0 109.294 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -144.65 157.78 27.35 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.2 t -128.64 128.13 43.56 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.199 -1.177 . . . . 0.0 109.543 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.47 169.05 5.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.242 -0.911 . . . . 0.0 109.472 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.519 ' CD1' ' C ' ' A' ' 122' ' ' TYR . 0.8 OUTLIER -133.5 93.75 3.19 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.261 -0.899 . . . . 0.0 109.28 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -74.03 140.74 45.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.299 -0.876 . . . . 0.0 109.622 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 115.53 64.71 0.39 Allowed Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.4 mp -96.03 133.78 39.85 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.172 -1.193 . . . . 0.0 109.445 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -84.67 -99.35 0.06 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.263 -0.898 . . . . 0.0 109.581 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -132.09 152.96 50.92 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.263 -0.898 . . . . 0.0 109.595 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.487 ' O ' ' O ' ' A' ' 129' ' ' HIS . 10.8 t60 -112.89 -124.17 0.28 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.312 -0.868 . . . . 0.0 109.145 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.579 ' N ' ' ND1' ' A' ' 129' ' ' HIS . 0.0 OUTLIER -53.26 -170.22 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.084 -1.01 . . . . 0.0 109.192 179.808 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.53 ' O ' ' O ' ' A' ' 129' ' ' HIS . 23.5 t-160 53.79 110.4 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.159 -0.963 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 64.09 98.86 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.213 -0.93 . . . . 0.0 109.353 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 117.932 -1.033 . . . . 0.0 109.495 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ptp . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 m -113.02 5.79 17.37 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.264 -0.897 . . . . 0.0 109.498 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -124.74 78.63 1.7 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.3 -0.875 . . . . 0.0 109.497 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -161.05 0.17 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.214 -0.929 . . . . 0.0 109.503 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -144.22 89.65 2.04 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.33 -0.857 . . . . 0.0 109.47 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -110.25 74.14 0.87 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.262 -0.899 . . . . 0.0 109.497 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -46.43 138.8 5.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.267 -0.896 . . . . 0.0 109.406 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.727 ' CD2' ' H ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -60.31 146.96 42.13 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.205 -0.934 . . . . 0.0 109.647 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 11' ' ' GLU . 4.7 m -146.27 71.19 1.24 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.258 -0.901 . . . . 0.0 109.15 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 13.1 m -46.85 -20.12 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.336 -0.853 . . . . 0.0 109.826 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 9' ' ' SER . 60.9 tt0 -61.07 -39.83 91.36 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.105 -0.997 . . . . 0.0 109.464 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -70.0 -40.42 75.28 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.294 -0.879 . . . . 0.0 109.532 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.431 ' H ' ' HG ' ' A' ' 13' ' ' LEU . 13.9 mt -67.18 -43.22 82.73 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.253 -0.905 . . . . 0.0 109.71 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 15' ' ' GLU . 8.0 mt -62.76 -59.07 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.268 -0.895 . . . . 0.0 109.721 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 14' ' ' ILE . 4.1 tt0 -42.96 -57.96 2.62 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.253 -0.904 . . . . 0.0 109.611 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.8 mt -48.49 -47.03 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.191 -0.943 . . . . 0.0 109.593 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.512 ' O ' ' C ' ' A' ' 18' ' ' LYS . 3.3 mm100 -53.91 -65.74 0.52 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.208 -0.933 . . . . 0.0 109.532 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.512 ' C ' ' O ' ' A' ' 17' ' ' GLN . 31.3 mttt -35.16 -42.95 0.2 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.292 -0.88 . . . . 0.0 109.662 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.526 ' O ' ' C ' ' A' ' 20' ' ' GLU . 1.9 tt0 -72.54 -66.62 0.64 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.225 -0.922 . . . . 0.0 109.727 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.526 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -35.09 -46.8 0.35 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.254 -0.904 . . . . 0.0 109.608 -179.778 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.465 ' O ' ' C ' ' A' ' 22' ' ' ARG . 48.9 m -60.53 -58.92 6.44 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.236 -0.915 . . . . 0.0 109.235 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.726 ' CG ' HH11 ' A' ' 22' ' ' ARG . 0.0 OUTLIER -39.38 -52.22 2.06 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.253 -0.904 . . . . 0.0 109.506 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -57.23 -40.75 78.18 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.323 -0.861 . . . . 0.0 109.704 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 26' ' ' GLN . 68.1 mt -70.21 -66.69 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.242 -0.911 . . . . 0.0 109.669 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.447 ' H ' HD12 ' A' ' 25' ' ' ILE . 1.2 mp -45.16 -22.95 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.112 -0.992 . . . . 0.0 109.264 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' ILE . 5.0 mm-40 -71.75 -56.51 5.64 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.25 -0.906 . . . . 0.0 109.479 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.0 -41.1 77.83 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.245 -0.909 . . . . 0.0 109.615 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.5 mt -60.24 -49.34 77.99 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.222 -0.924 . . . . 0.0 109.447 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -60.64 -37.99 83.35 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.226 -0.921 . . . . 0.0 109.39 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -60.52 -31.84 70.9 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.241 -0.912 . . . . 0.0 109.269 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -76.6 -37.64 56.12 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.259 -0.9 . . . . 0.0 109.482 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.56 ' O ' ' O ' ' A' ' 33' ' ' SER . . . 126.41 17.5 2.39 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.56 ' O ' ' O ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -34.51 156.73 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.22 -1.165 . . . . 0.0 109.596 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -125.37 86.69 56.74 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.183 -0.948 . . . . 0.0 109.593 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -52.67 -27.1 32.07 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.85 2.367 . . . . 0.0 112.286 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -65.37 -22.46 66.8 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.227 -0.92 . . . . 0.0 109.511 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.556 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -88.07 18.2 4.45 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.223 -0.923 . . . . 0.0 109.616 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.556 ' O ' ' O ' ' A' ' 37' ' ' ALA . 0.6 OUTLIER 56.25 150.85 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.135 -0.978 . . . . 0.0 109.473 179.846 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -128.37 152.69 47.88 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.331 -0.856 . . . . 0.0 109.326 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -107.59 146.72 31.55 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.225 -0.922 . . . . 0.0 109.603 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.0 mm -122.43 145.38 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.309 -0.869 . . . . 0.0 109.203 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -120.3 111.3 17.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.169 -0.957 . . . . 0.0 109.606 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -100.21 142.33 31.84 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.204 -0.935 . . . . 0.0 109.461 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.431 ' CD2' ' N ' ' A' ' 44' ' ' HIS . 1.0 OUTLIER -121.45 124.59 44.83 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.258 -0.901 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 2.7 mp -131.01 148.12 52.71 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.224 -0.922 . . . . 0.0 109.484 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -132.9 155.83 48.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.24 -0.913 . . . . 0.0 109.745 -179.839 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.04 179.3 5.96 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.329 -0.857 . . . . 0.0 109.483 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -116.9 -21.09 9.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.263 -0.898 . . . . 0.0 109.276 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.643 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.4 t0 -127.01 109.89 12.38 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.352 -0.842 . . . . 0.0 109.228 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' A' ' 49' ' ' ASP . 17.9 t80 -41.15 -17.65 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.24 -0.913 . . . . 0.0 109.748 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.643 ' N ' ' O ' ' A' ' 49' ' ' ASP . 5.9 t70 -65.81 -77.5 0.06 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.169 -0.957 . . . . 0.0 109.636 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.461 ' HE2' ' H ' ' A' ' 49' ' ' ASP . 32.3 pttt -53.18 -32.61 48.79 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.195 -0.94 . . . . 0.0 109.393 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.45 ' CD2' ' C ' ' A' ' 53' ' ' LEU . 6.1 tt -51.48 -55.89 16.36 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.391 -0.818 . . . . 0.0 109.667 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 55' ' ' LYS . 18.2 tt0 -63.88 -53.03 56.87 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.211 -0.931 . . . . 0.0 109.547 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 54' ' ' GLU . 7.6 mtpp -44.48 -47.85 10.03 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.206 -0.934 . . . . 0.0 109.705 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.515 ' O ' ' C ' ' A' ' 57' ' ' ALA . . . -72.0 -61.07 1.92 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.153 -0.967 . . . . 0.0 109.607 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 56' ' ' ALA . . . -35.59 -52.35 0.67 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.36 -0.837 . . . . 0.0 109.571 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.6 t -59.01 -54.15 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.268 -0.895 . . . . 0.0 109.455 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -49.09 -41.29 35.05 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.239 -0.913 . . . . 0.0 109.351 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.3 -35.64 76.2 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.244 -0.91 . . . . 0.0 109.234 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -61.79 -52.29 64.81 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.287 -0.883 . . . . 0.0 109.298 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -55.59 -39.18 70.38 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.24 -0.912 . . . . 0.0 109.236 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 31.2 ttm -51.96 -57.63 8.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.265 -0.897 . . . . 0.0 109.385 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.656 ' O ' ' SD ' ' A' ' 88' ' ' MET . . . 149.6 31.9 0.05 OUTLIER Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.691 ' CD1' ' SD ' ' A' ' 88' ' ' MET . 10.2 m-85 -117.38 137.78 52.24 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.214 -1.168 . . . . 0.0 109.466 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.447 ' OE1' ' O ' ' A' ' 67' ' ' VAL . 1.3 tm-20 -82.08 84.01 7.14 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.178 -0.951 . . . . 0.0 109.362 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.447 ' O ' ' OE1' ' A' ' 66' ' ' GLU . 14.7 p -54.67 164.81 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.238 -0.914 . . . . 0.0 109.528 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.605 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -144.19 132.59 22.03 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.299 -0.875 . . . . 0.0 109.363 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.569 ' O ' ' O ' ' A' ' 68' ' ' LEU . 4.6 pt-20 -39.02 165.33 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.297 -0.877 . . . . 0.0 109.767 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.458 ' HB3' ' N ' ' A' ' 83' ' ' CYS . . . -116.71 158.94 23.01 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.362 -0.836 . . . . 0.0 109.426 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.472 ' N ' ' CD ' ' A' ' 71' ' ' GLU . 1.9 pm0 -118.22 147.43 43.41 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.284 -0.885 . . . . 0.0 109.455 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -64.38 114.69 4.46 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.2 -0.937 . . . . 0.0 109.629 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.498 ' OG1' ' N ' ' A' ' 74' ' ' GLU . 4.8 t -117.67 -139.69 0.36 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.23 -0.919 . . . . 0.0 109.377 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.498 ' N ' ' OG1' ' A' ' 73' ' ' THR . 6.3 pt-20 178.78 128.56 0.07 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.253 -0.904 . . . . 0.0 109.554 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.529 ' C ' ' H ' ' A' ' 77' ' ' ASP . 0.4 OUTLIER -63.23 -178.03 0.22 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.215 -0.928 . . . . 0.0 109.426 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.483 ' C ' ' OD1' ' A' ' 77' ' ' ASP . 56.0 mm-40 -73.44 29.91 0.07 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.214 -0.928 . . . . 0.0 109.465 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.529 ' H ' ' C ' ' A' ' 75' ' ' ASP . 0.9 OUTLIER -145.48 -35.26 0.31 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.283 -0.886 . . . . 0.0 109.497 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 112.4 65.77 0.49 Allowed Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.589 -1.405 . . . . 0.0 109.589 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -108.57 -10.8 15.2 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.258 -1.142 . . . . 0.0 109.434 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.2 mttt 54.06 100.44 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.331 -0.856 . . . . 0.0 109.745 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.94 153.96 45.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.258 -0.901 . . . . 0.0 109.457 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.65 136.39 33.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.251 -0.906 . . . . 0.0 109.669 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.458 ' N ' ' HB3' ' A' ' 70' ' ' ALA . 17.7 p -128.21 107.88 10.15 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.327 -0.858 . . . . 0.0 109.625 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.575 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 2.2 p90 -94.0 165.52 12.61 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.221 -0.924 . . . . 0.0 109.426 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.605 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -121.74 156.96 32.01 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.218 -0.926 . . . . 0.0 109.795 -179.726 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -142.14 137.47 30.93 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.373 -0.83 . . . . 0.0 109.276 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.404 ' H ' ' HG1' ' A' ' 87' ' ' THR . 0.5 OUTLIER -109.82 157.77 18.84 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.145 -0.972 . . . . 0.0 109.639 -179.891 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.691 ' SD ' ' CD1' ' A' ' 65' ' ' PHE . 8.5 tpt -155.68 115.72 3.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.229 -0.919 . . . . 0.0 109.481 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -77.99 137.18 38.16 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.231 -0.918 . . . . 0.0 109.452 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.23 156.18 6.87 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.248 -0.908 . . . . 0.0 109.541 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.52 170.73 2.3 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.271 -0.893 . . . . 0.0 109.571 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 59.9 tp -92.33 92.18 8.03 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.298 -0.876 . . . . 0.0 109.538 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -153.26 126.28 8.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.329 -0.857 . . . . 0.0 109.374 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.53 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -49.21 -62.04 1.75 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.259 -0.901 . . . . 0.0 109.644 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.53 ' C ' ' O ' ' A' ' 94' ' ' ALA . 4.9 mtpt -34.95 -47.82 0.37 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.247 -0.908 . . . . 0.0 109.662 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 98' ' ' ASP . 8.4 mp -63.35 -69.89 0.24 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.193 -0.942 . . . . 0.0 109.586 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 96' ' ' LEU . 31.4 mt -41.75 -22.77 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.239 -0.913 . . . . 0.0 109.242 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -75.29 -45.69 38.21 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.419 -0.8 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 96' ' ' LEU . 1.0 OUTLIER -65.21 -45.2 85.72 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.335 -0.853 . . . . 0.0 109.437 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -60.14 -61.36 2.66 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.29 -0.881 . . . . 0.0 109.526 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.462 HG11 ' CZ ' ' A' ' 115' ' ' TYR . 89.0 t -55.12 -47.38 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.211 -0.931 . . . . 0.0 109.549 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.416 ' C ' ' OE1' ' A' ' 102' ' ' GLU . 0.2 OUTLIER -50.04 -35.07 23.56 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.144 -0.973 . . . . 0.0 109.132 179.798 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -56.3 7.82 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.288 -0.883 . . . . 0.0 109.067 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 97.7 mt -55.21 -22.74 18.92 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.371 -0.83 . . . . 0.0 109.414 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.5 t -73.97 -52.6 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.271 -0.893 . . . . 0.0 109.528 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -63.0 -39.98 96.39 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.234 -0.916 . . . . 0.0 109.594 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 108' ' ' ALA . 14.9 tp -65.95 -55.78 15.08 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.245 -0.909 . . . . 0.0 109.52 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 107' ' ' LEU . . . -44.11 -54.97 5.09 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.233 -0.917 . . . . 0.0 109.716 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -67.48 -28.57 67.96 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.274 -0.891 . . . . 0.0 109.756 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -57.96 -32.71 68.11 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.202 -0.936 . . . . 0.0 109.473 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 15.2 m-85 -101.1 -74.89 0.6 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -0.907 . . . . 0.0 109.477 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.6 OUTLIER 166.9 32.72 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.195 -0.941 . . . . 0.0 109.683 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.411 ' CG1' ' HA ' ' A' ' 108' ' ' ALA . 32.2 pt -116.99 166.22 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.187 -0.945 . . . . 0.0 109.397 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -112.75 136.77 47.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.22 -0.925 . . . . 0.0 109.793 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.462 ' CZ ' HG11 ' A' ' 101' ' ' VAL . 0.6 OUTLIER -103.42 108.59 19.9 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.294 -0.879 . . . . 0.0 108.797 179.352 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.442 ' O ' ' CG ' ' A' ' 116' ' ' ASP . 2.2 t0 -150.0 82.53 1.38 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.13 -0.982 . . . . 0.0 109.692 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 161.14 87.97 0.07 OUTLIER Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 2.4 p-90 -128.59 138.02 52.0 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.231 -1.158 . . . . 0.0 109.14 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -153.65 165.42 31.5 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.8 t -120.91 158.89 26.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.25 -1.147 . . . . 0.0 109.44 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.27 129.91 39.18 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.173 -0.954 . . . . 0.0 109.406 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -69.2 121.37 16.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.198 -0.939 . . . . 0.0 109.4 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -80.12 71.44 6.87 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.159 -0.963 . . . . 0.0 109.449 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 174.69 66.96 0.05 OUTLIER Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 22.6 mt -133.17 77.59 1.74 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.237 -1.155 . . . . 0.0 109.56 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -122.43 173.21 7.8 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.241 -0.912 . . . . 0.0 109.315 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.536 ' O ' ' O ' ' A' ' 128' ' ' HIS . 0.1 OUTLIER -67.04 89.2 0.17 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.148 -0.97 . . . . 0.0 109.536 -179.857 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.536 ' O ' ' O ' ' A' ' 127' ' ' HIS . 31.7 m-70 47.04 -179.45 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.239 -0.913 . . . . 0.0 109.606 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -83.77 -82.18 0.16 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.214 -0.929 . . . . 0.0 109.457 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -178.18 49.14 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.258 -0.901 . . . . 0.0 109.39 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -156.67 -45.6 0.07 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.386 -0.821 . . . . 0.0 109.332 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 118.023 -0.989 . . . . 0.0 109.553 179.888 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.9 mtp . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.2 m -116.55 76.49 1.03 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.252 -0.905 . . . . 0.0 109.498 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.479 ' N ' ' ND1' ' A' ' 3' ' ' HIS . 1.8 m80 -104.02 110.77 23.05 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.281 -0.887 . . . . 0.0 109.464 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 3' ' ' HIS . 6.3 tt0 -44.98 139.21 3.24 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.28 -0.887 . . . . 0.0 109.463 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -146.35 146.45 30.67 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.203 -0.935 . . . . 0.0 109.315 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -123.97 109.77 13.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.221 -0.924 . . . . 0.0 109.624 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -129.87 60.68 1.59 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.248 -0.907 . . . . 0.0 109.356 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 tt -118.59 108.19 14.65 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.16 -0.962 . . . . 0.0 109.382 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m -106.91 141.51 38.01 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.312 -0.867 . . . . 0.0 109.709 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 t -82.25 -20.27 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.248 -0.907 . . . . 0.0 109.43 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -82.1 -49.92 9.64 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.249 -0.907 . . . . 0.0 109.739 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.606 ' CG ' ' N ' ' A' ' 13' ' ' LEU . 6.3 pt-20 -53.24 -47.12 69.3 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.158 -0.964 . . . . 0.0 109.544 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.606 ' N ' ' CG ' ' A' ' 12' ' ' GLU . 84.7 mt -58.12 -44.55 87.8 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.225 -0.922 . . . . 0.0 109.522 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.0 mt -63.55 -38.83 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.262 -0.898 . . . . 0.0 109.568 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 18' ' ' LYS . 7.2 tm-20 -64.42 -67.09 0.46 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.327 -0.858 . . . . 0.0 109.548 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.469 ' C ' ' O ' ' A' ' 15' ' ' GLU . 11.3 mt -41.53 -66.94 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.275 -0.891 . . . . 0.0 109.329 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.576 ' O ' ' OG1' ' A' ' 21' ' ' THR . 1.3 mt-30 -44.6 -31.51 1.16 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.203 -0.936 . . . . 0.0 109.131 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 4.3 ttmm -57.88 -53.79 54.2 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.261 -0.899 . . . . 0.0 109.055 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.523 ' O ' ' C ' ' A' ' 20' ' ' GLU . 12.2 mm-40 -73.45 -61.47 1.82 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.246 -0.909 . . . . 0.0 109.307 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.523 ' C ' ' O ' ' A' ' 19' ' ' GLU . 2.8 tt0 -36.88 -55.38 0.91 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.327 -0.858 . . . . 0.0 109.374 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.576 ' OG1' ' O ' ' A' ' 17' ' ' GLN . 11.7 m -53.15 -59.86 4.01 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.234 -0.916 . . . . 0.0 109.319 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -44.98 -40.6 6.57 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.127 -0.983 . . . . 0.0 109.446 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -55.8 -49.0 74.41 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.278 -0.889 . . . . 0.0 109.741 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 26' ' ' GLN . 78.6 mt -64.93 -68.26 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.173 -0.954 . . . . 0.0 109.735 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.512 ' C ' ' O ' ' A' ' 24' ' ' ILE . 5.8 mm -36.96 -31.5 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.61 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.523 ' N ' ' O ' ' A' ' 24' ' ' ILE . 8.2 mm-40 -72.69 -45.43 58.89 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.215 -0.928 . . . . 0.0 109.733 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . -70.87 -33.9 71.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.197 -0.939 . . . . 0.0 109.684 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -56.02 8.08 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.272 -0.893 . . . . 0.0 109.488 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.7 OUTLIER -54.05 -55.57 26.18 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.269 -0.895 . . . . 0.0 109.258 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -46.59 -43.83 17.6 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.175 -0.953 . . . . 0.0 109.077 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.25 -26.96 13.15 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.217 -0.927 . . . . 0.0 109.312 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 29' ' ' LEU . . . 106.64 25.54 6.22 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.433 ' C ' ' OD1' ' A' ' 34' ' ' ASP . 2.0 p -53.13 -175.05 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.233 -1.157 . . . . 0.0 109.59 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.433 ' OD1' ' C ' ' A' ' 33' ' ' SER . 0.8 OUTLIER -136.31 91.61 16.44 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.29 -0.881 . . . . 0.0 109.391 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.439 ' C ' ' H ' ' A' ' 37' ' ' ALA . 19.5 Cg_exo -61.69 -30.7 85.66 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.776 2.318 . . . . 0.0 112.372 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.36 0.46 1.46 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.247 -0.908 . . . . 0.0 109.667 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.453 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -110.56 22.94 14.85 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.14 -0.975 . . . . 0.0 109.428 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.453 ' O ' ' O ' ' A' ' 37' ' ' ALA . 4.1 mm? 55.0 167.29 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.183 -0.948 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -140.56 151.64 44.88 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.272 -0.892 . . . . 0.0 109.638 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -104.91 124.04 48.79 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.291 -0.881 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.0 mm -98.0 139.89 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.197 -0.939 . . . . 0.0 109.325 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -116.83 113.61 22.75 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.348 -0.845 . . . . 0.0 109.444 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -104.26 140.57 37.67 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.224 -0.922 . . . . 0.0 109.742 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.512 ' NE2' ' OD2' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -118.84 112.37 19.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.343 -0.848 . . . . 0.0 109.253 179.834 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 3.6 mp -123.9 146.39 48.46 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.236 -0.915 . . . . 0.0 109.598 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.646 ' CD1' ' N ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -132.26 167.35 19.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.267 -0.896 . . . . 0.0 109.777 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.11 172.32 17.72 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.35 -0.844 . . . . 0.0 109.442 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -109.55 -27.43 9.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.212 -0.93 . . . . 0.0 109.547 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.1 m-20 -106.48 100.95 10.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.192 -0.943 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -46.5 -15.76 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.205 -0.934 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.566 ' N ' ' CD1' ' A' ' 50' ' ' PHE . 1.7 m-20 -68.0 -63.15 1.12 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.291 -0.88 . . . . 0.0 109.021 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.0 pttt -65.23 -29.29 70.07 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.31 -0.868 . . . . 0.0 109.144 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.3 tt -60.78 -51.08 70.87 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.279 -0.888 . . . . 0.0 109.144 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -61.43 -49.68 75.86 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.333 -0.854 . . . . 0.0 109.414 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -57.63 8.54 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.361 -0.837 . . . . 0.0 109.615 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.26 -49.78 71.17 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.243 -0.91 . . . . 0.0 109.482 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 58' ' ' VAL . . . -52.06 -60.11 3.57 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.317 -0.864 . . . . 0.0 109.559 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 57' ' ' ALA . 80.1 t -42.89 -59.65 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.214 -0.929 . . . . 0.0 109.562 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.617 ' OE1' ' N ' ' A' ' 59' ' ' GLU . 2.4 mp0 -49.58 -38.96 33.48 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.126 -0.984 . . . . 0.0 109.441 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.36 -33.54 74.46 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.284 -0.885 . . . . 0.0 109.731 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -69.92 -51.78 30.09 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.192 -0.943 . . . . 0.0 109.463 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.0 tttp -66.0 -41.91 90.45 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.31 -0.868 . . . . 0.0 109.546 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.0 ttp -51.61 -65.78 0.5 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.181 -0.949 . . . . 0.0 109.378 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 165.45 27.29 0.02 OUTLIER Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.426 ' CZ ' ' HE2' ' A' ' 88' ' ' MET . 64.0 m-85 -115.67 135.33 54.16 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.172 -1.193 . . . . 0.0 109.462 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' VAL . 9.4 mt-10 -84.34 75.86 10.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.294 -0.879 . . . . 0.0 109.481 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 66' ' ' GLU . 2.7 p -43.84 149.05 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.25 -0.906 . . . . 0.0 109.658 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 85' ' ' ASP . 3.1 tp -126.1 137.09 53.58 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.372 -0.83 . . . . 0.0 109.217 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 68' ' ' LEU . 19.6 pt-20 -40.89 158.47 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.18 -0.95 . . . . 0.0 109.618 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -110.85 173.31 6.39 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.271 -0.893 . . . . 0.0 110.038 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.445 ' HG3' ' SG ' ' A' ' 83' ' ' CYS . 1.9 pt-20 -136.43 154.44 50.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.416 -0.803 . . . . 0.0 109.061 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -71.82 127.49 32.74 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.122 -0.986 . . . . 0.0 109.586 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.625 ' OG1' ' N ' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -120.66 -172.81 2.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.255 -0.903 . . . . 0.0 109.653 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.625 ' N ' ' OG1' ' A' ' 73' ' ' THR . 8.9 pt-20 -169.69 139.8 2.06 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.355 -0.84 . . . . 0.0 109.278 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -116.7 -66.25 1.1 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.107 -0.996 . . . . 0.0 109.702 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -54.17 -49.88 68.29 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.361 -0.837 . . . . 0.0 110.004 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 171.35 -13.76 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.177 -0.952 . . . . 0.0 109.227 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -166.16 20.78 0.11 Allowed Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.34 88.02 0.45 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.07 -1.253 . . . . 0.0 109.102 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -59.59 96.31 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.31 -0.869 . . . . 0.0 109.683 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.1 mt -114.66 163.43 15.45 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.279 -0.888 . . . . 0.0 109.356 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 5.1 mp -115.5 137.17 52.33 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.259 -0.901 . . . . 0.0 109.095 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.445 ' SG ' ' HG3' ' A' ' 71' ' ' GLU . 4.7 p -132.5 105.15 7.07 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.134 -0.979 . . . . 0.0 110.156 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 45' ' ' LEU . 15.8 p90 -95.87 158.72 15.32 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.234 -0.916 . . . . 0.0 108.907 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.512 ' OD2' ' NE2' ' A' ' 44' ' ' HIS . 0.4 OUTLIER -111.94 171.64 7.38 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.132 -0.98 . . . . 0.0 109.661 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -150.19 119.86 7.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.216 -0.928 . . . . 0.0 109.465 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.99 147.94 25.6 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.247 -0.908 . . . . 0.0 109.659 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.426 ' HE2' ' CZ ' ' A' ' 65' ' ' PHE . 11.9 ttm -147.52 153.71 39.83 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.34 -0.85 . . . . 0.0 109.189 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -107.0 132.04 53.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.274 -0.891 . . . . 0.0 109.193 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 80.4 p -166.76 148.65 6.29 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.216 -0.927 . . . . 0.0 109.555 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.99 153.71 20.73 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.25 -0.906 . . . . 0.0 109.43 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.6 tp -78.15 89.12 4.24 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.223 -0.923 . . . . 0.0 109.383 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.12 118.65 10.36 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.201 -0.937 . . . . 0.0 109.495 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -48.5 -50.22 32.6 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.286 -0.884 . . . . 0.0 109.546 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -48.97 -44.55 40.98 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.24 -0.913 . . . . 0.0 109.538 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.13 -45.01 74.77 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.268 -0.895 . . . . 0.0 109.61 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 29.4 mt -57.72 -29.6 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.183 -0.948 . . . . 0.0 109.604 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -72.76 -47.27 48.23 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.254 -0.904 . . . . 0.0 109.452 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.4 -45.4 93.32 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.246 -0.909 . . . . 0.0 109.516 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.09 -58.78 6.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.235 -0.915 . . . . 0.0 109.326 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.468 HG23 ' HH ' ' A' ' 115' ' ' TYR . 96.4 t -51.23 -39.28 20.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.224 -0.922 . . . . 0.0 109.118 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -54.1 -44.28 71.11 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.252 -0.905 . . . . 0.0 109.334 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -64.72 -43.94 91.79 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.209 -0.932 . . . . 0.0 109.306 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 57.3 mt -62.75 -28.36 69.92 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.137 -0.977 . . . . 0.0 109.329 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 6.8 t -74.6 -49.05 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.235 -0.916 . . . . 0.0 109.568 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -61.22 -52.41 64.89 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.266 -0.896 . . . . 0.0 109.671 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.487 ' O ' ' C ' ' A' ' 108' ' ' ALA . 1.1 tt -60.6 -57.99 10.38 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.17 -0.956 . . . . 0.0 109.661 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.487 ' C ' ' O ' ' A' ' 107' ' ' LEU . . . -38.74 -54.8 1.56 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.234 -0.916 . . . . 0.0 109.441 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -65.93 -33.02 74.88 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.339 -0.851 . . . . 0.0 109.537 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 107' ' ' LEU . 3.3 tptm -50.38 -36.73 33.88 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.294 -0.879 . . . . 0.0 109.459 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.473 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 65.8 m-85 -98.02 -77.26 0.51 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.233 -0.917 . . . . 0.0 109.694 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 1.1 m-20 167.22 31.21 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.231 -0.918 . . . . 0.0 109.587 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 22.5 pt -111.08 137.12 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.179 -0.951 . . . . 0.0 109.467 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.452 HD12 ' N ' ' A' ' 115' ' ' TYR . 0.1 OUTLIER -84.42 125.97 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.242 -0.911 . . . . 0.0 109.316 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.468 ' HH ' HG23 ' A' ' 101' ' ' VAL . 8.6 t80 -95.03 111.73 23.51 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.194 -0.941 . . . . 0.0 109.635 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' A' ' 116' ' ' ASP . 4.2 t70 -156.46 84.15 0.98 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.218 -0.926 . . . . 0.0 109.443 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 159.65 92.29 0.09 OUTLIER Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.955 -1.258 . . . . 0.0 109.955 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.685 ' O ' ' CG ' ' A' ' 118' ' ' TRP . 3.1 p-90 -134.4 112.93 11.37 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.194 -1.18 . . . . 0.0 109.178 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -128.95 161.19 22.52 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.16 164.62 13.62 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.258 -1.142 . . . . 0.0 109.509 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.532 ' O ' ' C ' ' A' ' 122' ' ' TYR . 0.4 OUTLIER -137.87 124.8 21.29 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.347 -0.846 . . . . 0.0 109.243 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.532 ' C ' ' O ' ' A' ' 121' ' ' TYR . 11.3 m-85 -37.28 146.66 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.219 -0.926 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.55 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 1.1 mp0 -85.99 63.35 7.98 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.261 -0.899 . . . . 0.0 109.508 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 141.89 149.4 5.19 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.65 -1.38 . . . . 0.0 109.65 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -145.12 89.6 1.97 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.292 -1.122 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -128.68 -179.68 5.2 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.31 -0.868 . . . . 0.0 109.391 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.659 ' O ' ' ND1' ' A' ' 127' ' ' HIS . 1.4 t-80 -119.06 42.77 2.74 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.252 -0.905 . . . . 0.0 109.423 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.81 139.0 27.47 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.198 -0.939 . . . . 0.0 109.422 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -134.09 69.24 1.47 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.261 -0.9 . . . . 0.0 109.58 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.419 ' O ' ' CG ' ' A' ' 130' ' ' HIS . 22.8 t-160 -90.02 58.09 4.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.233 -0.917 . . . . 0.0 109.274 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.551 ' O ' ' O ' ' A' ' 132' ' ' HIS . 1.8 t60 -155.33 47.22 0.52 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.331 -0.856 . . . . 0.0 109.561 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.551 ' O ' ' O ' ' A' ' 131' ' ' HIS . 6.7 t-80 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 118.097 -0.954 . . . . 0.0 109.473 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 mpp? . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 p -70.09 -70.37 0.3 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.236 -0.915 . . . . 0.0 109.584 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.707 ' N ' ' ND1' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -156.85 -173.71 4.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.304 -0.872 . . . . 0.0 109.542 -179.861 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.559 ' O ' ' OD1' ' A' ' 5' ' ' ASP . 11.3 mt-30 55.22 -88.35 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.292 -0.88 . . . . 0.0 109.47 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.559 ' OD1' ' O ' ' A' ' 4' ' ' GLN . 0.1 OUTLIER 169.39 -27.16 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.329 -0.857 . . . . 0.0 109.263 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.492 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 0.5 OUTLIER -52.22 116.8 2.4 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.282 -0.886 . . . . 0.0 109.373 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -95.53 118.08 31.58 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.134 -0.979 . . . . 0.0 109.46 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 mt -96.35 147.15 24.1 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.279 -0.888 . . . . 0.0 109.469 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.673 ' O ' ' N ' ' A' ' 11' ' ' GLU . 28.3 m -83.61 76.53 9.96 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.255 -0.903 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' A' ' 9' ' ' SER . 1.7 m -39.5 -18.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.266 -0.896 . . . . 0.0 109.526 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.673 ' N ' ' O ' ' A' ' 9' ' ' SER . 4.7 tt0 -76.07 -55.82 5.24 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.238 -0.914 . . . . 0.0 109.688 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.469 ' HG2' ' N ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -46.41 -44.44 17.18 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.167 -0.958 . . . . 0.0 109.349 -179.812 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.469 ' N ' ' HG2' ' A' ' 12' ' ' GLU . 62.4 mt -56.27 -41.22 75.49 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.257 -0.902 . . . . 0.0 109.303 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.1 mt -67.1 -42.89 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.3 -0.875 . . . . 0.0 109.306 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.57 -52.35 65.75 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.32 -0.862 . . . . 0.0 109.268 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.7 mt -56.92 -60.72 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.231 -0.918 . . . . 0.0 109.401 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.432 ' OE1' ' CD1' ' A' ' 118' ' ' TRP . 30.4 mm-40 -48.45 -36.12 14.29 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.283 -0.886 . . . . 0.0 109.444 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.534 ' NZ ' ' OD2' ' A' ' 98' ' ' ASP . 5.8 ttmm -57.84 -51.69 68.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.283 -0.885 . . . . 0.0 109.443 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.525 ' O ' ' C ' ' A' ' 20' ' ' GLU . 2.4 tp10 -63.78 -60.6 3.09 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.344 -0.848 . . . . 0.0 109.623 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.525 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -36.36 -70.89 0.08 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.248 -0.908 . . . . 0.0 109.694 -179.821 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' GLU . 42.4 m -42.74 -51.78 5.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.209 -0.932 . . . . 0.0 109.601 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.712 ' CG ' HH11 ' A' ' 22' ' ' ARG . 0.0 OUTLIER -47.19 -56.4 6.74 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.065 -1.022 . . . . 0.0 109.835 -179.674 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.514 ' C ' ' OD1' ' A' ' 23' ' ' ASP . 0.3 OUTLIER -53.76 -31.36 48.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.155 -0.966 . . . . 0.0 109.345 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' ILE . 43.1 mt -75.89 -71.22 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.32 -0.862 . . . . 0.0 109.256 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 24' ' ' ILE . 12.2 mm -42.12 -29.47 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.256 -0.902 . . . . 0.0 109.262 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.637 ' NE2' ' O ' ' A' ' 26' ' ' GLN . 12.3 tp60 -73.61 -48.56 31.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.343 -0.848 . . . . 0.0 109.322 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.41 -29.44 69.6 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.204 -0.935 . . . . 0.0 109.32 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 70.7 mt -71.72 -61.53 1.75 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.265 -0.897 . . . . 0.0 109.276 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.14 -29.89 24.06 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.265 -0.897 . . . . 0.0 109.185 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -78.8 -34.24 45.56 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.294 -0.879 . . . . 0.0 109.362 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.56 -29.61 68.2 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.287 -0.883 . . . . 0.0 109.423 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.518 ' O ' ' O ' ' A' ' 33' ' ' SER . . . 132.46 5.46 3.28 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.518 ' O ' ' O ' ' A' ' 32' ' ' GLY . 0.4 OUTLIER -40.83 164.71 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.271 -1.135 . . . . 0.0 109.348 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -142.6 95.88 6.34 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.134 -0.979 . . . . 0.0 109.735 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -54.26 -14.67 6.92 Favored 'Trans proline' 0 C--N 1.309 -1.535 0 C-N-CA 122.564 2.176 . . . . 0.0 111.995 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.89 20.74 2.49 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.217 -0.927 . . . . 0.0 109.432 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -130.7 6.91 4.76 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.227 -0.921 . . . . 0.0 109.407 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 mt 60.57 157.46 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.209 -0.932 . . . . 0.0 109.714 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -137.62 162.56 33.47 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.208 -0.933 . . . . 0.0 109.403 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -112.95 111.24 21.85 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.23 -0.918 . . . . 0.0 109.46 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.404 HD11 ' HG ' ' A' ' 90' ' ' SER . 8.9 mm -83.04 153.64 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.301 -0.874 . . . . 0.0 109.502 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.441 ' C ' ' CD ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -135.25 105.61 6.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.341 -0.849 . . . . 0.0 109.287 179.838 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -100.25 146.42 26.92 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.232 -0.918 . . . . 0.0 109.615 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -118.36 132.0 56.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.303 -0.873 . . . . 0.0 109.219 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 2.2 mp -133.23 149.51 51.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.097 -1.002 . . . . 0.0 109.795 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.591 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -135.58 158.96 43.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.262 -0.898 . . . . 0.0 109.61 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -151.87 -179.98 7.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.288 -0.883 . . . . 0.0 109.663 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -115.76 -36.61 4.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.286 -0.884 . . . . 0.0 109.384 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.424 ' C ' ' H ' ' A' ' 51' ' ' ASP . 7.3 t0 -108.0 115.12 29.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.279 -0.888 . . . . 0.0 109.492 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -52.75 -12.04 0.27 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.219 -0.926 . . . . 0.0 109.496 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.424 ' H ' ' C ' ' A' ' 49' ' ' ASP . 23.6 t70 -67.19 -71.66 0.19 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.202 -0.936 . . . . 0.0 109.489 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -57.56 -36.99 72.37 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.253 -0.905 . . . . 0.0 109.507 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.407 ' CD2' ' C ' ' A' ' 53' ' ' LEU . 6.5 tt -58.26 -52.68 64.58 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.242 -0.911 . . . . 0.0 109.812 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -55.16 -56.62 17.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.27 -0.894 . . . . 0.0 109.879 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -50.06 -59.65 3.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.171 -0.956 . . . . 0.0 109.885 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.79 -36.31 58.0 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.343 -0.848 . . . . 0.0 109.948 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.17 -43.53 98.62 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.223 -0.923 . . . . 0.0 109.777 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.9 t -62.17 -49.21 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.14 -0.975 . . . . 0.0 109.917 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.24 -33.44 65.41 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.183 -0.948 . . . . 0.0 109.796 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.54 -64.6 0.82 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.185 -0.947 . . . . 0.0 109.59 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -51.89 -39.31 58.83 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.165 -0.96 . . . . 0.0 109.547 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -53.8 -54.35 39.57 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.236 -0.915 . . . . 0.0 109.458 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 10.2 mtt -51.31 -44.25 61.88 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.261 -0.899 . . . . 0.0 109.484 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.52 28.77 0.09 OUTLIER Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.728 ' CZ ' ' SD ' ' A' ' 88' ' ' MET . 39.9 m-85 -102.75 169.3 8.7 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.225 -1.162 . . . . 0.0 109.424 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.566 ' CB ' ' HG1' ' A' ' 87' ' ' THR . 2.9 mt-10 -118.65 84.78 2.24 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.271 -0.893 . . . . 0.0 109.321 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.16 141.93 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.314 -0.866 . . . . 0.0 109.585 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.677 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -119.79 149.09 42.62 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.273 -0.892 . . . . 0.0 109.35 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -48.89 156.87 0.45 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.221 -0.925 . . . . 0.0 109.564 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 83' ' ' CYS . . . -108.74 179.45 4.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.311 -0.868 . . . . 0.0 109.665 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -147.06 132.88 19.0 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.353 -0.842 . . . . 0.0 109.439 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.85 119.56 3.62 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.293 -0.88 . . . . 0.0 109.524 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.9 t -147.84 -170.02 3.47 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.24 -0.912 . . . . 0.0 109.549 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -151.05 152.66 33.77 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.388 -0.82 . . . . 0.0 109.264 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.571 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 0.3 OUTLIER -113.98 -132.12 0.33 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.193 -0.942 . . . . 0.0 109.781 -179.554 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.434 ' O ' ' CD ' ' A' ' 76' ' ' GLU . 0.6 OUTLIER -90.26 13.25 15.79 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.214 -0.929 . . . . 0.0 109.771 -179.668 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.672 ' N ' ' OD1' ' A' ' 77' ' ' ASP . 1.1 p-10 -103.64 -40.69 6.2 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.191 -0.943 . . . . 0.0 109.549 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 79.37 50.54 5.69 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.437 ' O ' ' O ' ' A' ' 80' ' ' LYS . 3.4 t-20 -125.41 -6.44 7.03 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.291 -1.123 . . . . 0.0 109.485 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 79' ' ' ASN . 4.5 mttt 61.89 123.04 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.159 -0.963 . . . . 0.0 109.306 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.438 HD13 ' N ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -155.84 -165.64 2.0 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.211 -0.93 . . . . 0.0 109.55 -179.835 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.1 mp -112.85 144.88 41.65 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.182 -0.949 . . . . 0.0 109.546 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER -139.33 115.98 10.72 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.355 -0.84 . . . . 0.0 109.574 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.649 ' N ' ' CD1' ' A' ' 84' ' ' PHE . 0.8 OUTLIER -100.16 169.3 9.25 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.34 -0.85 . . . . 0.0 109.246 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.677 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -123.85 142.13 51.4 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.261 -0.899 . . . . 0.0 109.806 -179.656 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -122.83 131.49 53.78 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.274 -0.891 . . . . 0.0 109.148 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.566 ' HG1' ' CB ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -111.97 147.39 36.0 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.143 -0.973 . . . . 0.0 109.721 -179.755 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.728 ' SD ' ' CZ ' ' A' ' 65' ' ' PHE . 10.6 ttt -144.8 154.42 42.67 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.335 -0.853 . . . . 0.0 109.128 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -106.84 122.15 45.82 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.017 -1.052 . . . . 0.0 109.451 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.404 ' HG ' HD11 ' A' ' 41' ' ' ILE . 55.7 p -138.99 167.99 20.82 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.287 -0.883 . . . . 0.0 109.478 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.538 ' O ' ' C ' ' A' ' 92' ' ' LEU . . . -88.86 43.31 1.13 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.153 -0.967 . . . . 0.0 109.378 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.538 ' C ' ' O ' ' A' ' 91' ' ' ALA . 6.5 tp 36.3 80.97 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.139 -0.975 . . . . 0.0 109.501 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -138.68 147.83 43.27 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.209 -0.932 . . . . 0.0 109.367 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.96 -51.65 10.78 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.23 -0.919 . . . . 0.0 109.451 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.5 tttm -54.11 -55.31 28.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.216 -0.927 . . . . 0.0 109.358 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.1 mt -59.45 -48.89 79.91 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.339 -0.85 . . . . 0.0 109.496 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 18.1 mt -55.43 -28.7 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.193 -0.942 . . . . 0.0 109.499 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.534 ' OD2' ' NZ ' ' A' ' 18' ' ' LYS . 7.8 t0 -68.1 -51.36 47.24 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.308 -0.87 . . . . 0.0 109.478 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -55.28 -34.24 63.92 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.257 -0.902 . . . . 0.0 109.649 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 101' ' ' VAL . 16.9 mt-30 -69.94 -69.06 0.37 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.237 -0.914 . . . . 0.0 109.652 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.434 ' C ' ' O ' ' A' ' 100' ' ' GLN . 53.0 t -43.1 -44.79 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.306 -0.871 . . . . 0.0 109.632 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -55.92 -45.35 78.75 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.155 -0.965 . . . . 0.0 109.458 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -61.44 -54.01 49.13 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.201 -0.937 . . . . 0.0 109.392 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 66.7 mt -59.42 -18.08 36.1 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.26 -0.9 . . . . 0.0 109.231 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.6 t -82.42 -70.03 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.316 -0.865 . . . . 0.0 109.382 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 -48.75 -33.5 10.4 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.16 -0.962 . . . . 0.0 109.32 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 110' ' ' LYS . 1.2 tp -74.74 -61.78 1.76 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.298 -0.876 . . . . 0.0 109.352 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.478 ' C ' ' O ' ' A' ' 107' ' ' LEU . . . -40.16 -43.25 1.61 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.221 -0.925 . . . . 0.0 109.278 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.69 -27.62 45.12 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.207 -0.933 . . . . 0.0 109.438 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' A' ' 107' ' ' LEU . 5.7 tptp -56.7 -33.6 66.62 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.208 -0.932 . . . . 0.0 109.366 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.483 ' O ' ' CG ' ' A' ' 112' ' ' ASP . 12.0 m-85 -99.26 -76.91 0.53 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.272 -0.893 . . . . 0.0 109.344 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.483 ' CG ' ' O ' ' A' ' 111' ' ' PHE . 0.8 OUTLIER 168.67 31.67 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.189 -0.944 . . . . 0.0 109.869 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.4 pt -113.96 146.14 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.199 -0.938 . . . . 0.0 109.078 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -97.15 114.22 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.121 -0.987 . . . . 0.0 109.988 -179.409 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.487 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 0.1 OUTLIER -93.72 106.64 18.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.321 -0.862 . . . . 0.0 108.838 179.566 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -146.73 85.02 1.62 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.22 -0.925 . . . . 0.0 109.583 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 157.22 92.66 0.09 OUTLIER Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.432 ' CD1' ' OE1' ' A' ' 17' ' ' GLN . 3.2 p-90 -128.83 135.72 49.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.22 -1.165 . . . . 0.0 109.428 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -154.67 145.42 12.56 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.461 -1.455 . . . . 0.0 109.461 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.45 172.64 8.07 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.284 -1.127 . . . . 0.0 109.492 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -112.65 133.14 54.83 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.312 -0.868 . . . . 0.0 109.307 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.63 173.32 0.06 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.204 -0.935 . . . . 0.0 109.58 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -89.69 68.02 7.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.252 -0.905 . . . . 0.0 109.781 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 125' ' ' LEU . . . 98.51 9.76 52.26 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.706 -1.358 . . . . 0.0 109.706 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 124' ' ' GLY . 4.2 mt 44.63 65.41 1.08 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.263 -1.14 . . . . 0.0 109.548 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.08 115.56 27.0 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.268 -0.895 . . . . 0.0 109.522 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.467 ' O ' ' N ' ' A' ' 129' ' ' HIS . 1.7 m-70 -87.26 85.61 7.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.193 -0.942 . . . . 0.0 109.391 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 127' ' ' HIS . 1.5 m170 41.11 -99.29 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.205 -0.934 . . . . 0.0 109.47 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.467 ' N ' ' O ' ' A' ' 127' ' ' HIS . 8.6 m-70 -116.62 -132.05 0.32 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.272 -0.892 . . . . 0.0 109.352 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.588 ' O ' ' CB ' ' A' ' 131' ' ' HIS . 11.0 t-160 -76.65 14.41 0.81 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.244 -0.91 . . . . 0.0 109.471 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.588 ' CB ' ' O ' ' A' ' 130' ' ' HIS . 6.7 t60 82.43 43.09 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.322 -0.862 . . . . 0.0 109.433 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 118.056 -0.973 . . . . 0.0 109.544 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.488 ' O ' ' C ' ' A' ' 2' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 1' ' ' MET . 0.4 OUTLIER 38.07 49.39 1.22 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.239 -0.913 . . . . 0.0 109.487 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.531 ' O ' ' C ' ' A' ' 4' ' ' GLN . 0.2 OUTLIER -118.4 67.68 0.77 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.29 -0.881 . . . . 0.0 109.374 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.531 ' C ' ' O ' ' A' ' 3' ' ' HIS . 3.9 tt0 -35.3 132.28 0.4 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.297 -0.877 . . . . 0.0 109.515 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.71 98.94 7.19 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.309 -0.87 . . . . 0.0 109.508 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -160.27 115.62 2.31 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.272 -0.893 . . . . 0.0 109.276 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.568 ' O ' ' O ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -148.85 68.72 1.06 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.211 -0.93 . . . . 0.0 109.424 -179.807 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.568 ' O ' ' O ' ' A' ' 7' ' ' TYR . 3.1 mt 55.19 153.53 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.076 -1.015 . . . . 0.0 109.397 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.629 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -121.76 70.97 0.96 Allowed 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.177 -0.952 . . . . 0.0 109.308 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 9' ' ' SER . 16.9 t -42.89 -16.8 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.102 -0.999 . . . . 0.0 109.175 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.629 ' N ' ' O ' ' A' ' 9' ' ' SER . 10.9 tp10 -71.2 -53.44 14.41 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.298 -0.876 . . . . 0.0 109.501 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 13' ' ' LEU . 8.7 pt-20 -49.36 -37.69 25.7 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.127 -0.983 . . . . 0.0 109.379 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.455 ' N ' ' CG ' ' A' ' 12' ' ' GLU . 40.5 mt -64.86 -48.67 73.46 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.231 -0.918 . . . . 0.0 109.417 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.2 mt -58.61 -43.99 88.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.171 -0.956 . . . . 0.0 109.455 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -56.25 -66.55 0.41 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.326 -0.859 . . . . 0.0 109.483 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.46 ' H ' HD13 ' A' ' 16' ' ' ILE . 1.3 mp -47.31 -45.01 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.244 -0.91 . . . . 0.0 109.343 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.419 ' NE2' HG11 ' A' ' 101' ' ' VAL . 0.0 OUTLIER -54.77 -42.95 72.34 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.225 -0.922 . . . . 0.0 109.617 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.615 ' NZ ' ' OD2' ' A' ' 98' ' ' ASP . 50.7 mttm -61.67 -37.76 85.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.149 -0.969 . . . . 0.0 109.584 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -61.87 -60.01 4.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.08 -1.013 . . . . 0.0 109.594 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.0 -34.08 8.82 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.274 -0.891 . . . . 0.0 109.389 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 22' ' ' ARG . 2.4 m -68.17 -58.7 4.03 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.295 -0.878 . . . . 0.0 109.409 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 21' ' ' THR . 6.4 mmm180 -44.86 -44.86 9.88 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.275 -0.89 . . . . 0.0 109.848 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -62.67 -46.6 87.44 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.145 -0.972 . . . . 0.0 109.951 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 55.6 mt -64.94 -55.4 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.264 -0.898 . . . . 0.0 109.822 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 22.7 mm -51.49 -29.88 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.168 -0.958 . . . . 0.0 109.648 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -66.22 -59.98 3.23 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.199 -0.938 . . . . 0.0 109.7 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.25 -46.92 36.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.304 -0.872 . . . . 0.0 109.842 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 29' ' ' LEU . 1.8 mt -64.06 -69.13 0.3 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.229 -0.919 . . . . 0.0 109.877 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.46 ' C ' ' O ' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -41.21 -37.89 1.01 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.202 -0.936 . . . . 0.0 109.588 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -58.93 -51.91 68.03 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.204 -0.935 . . . . 0.0 109.515 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.58 -29.64 52.06 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.149 -0.969 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 113.81 14.04 9.76 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.9 t -47.75 142.96 4.26 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.294 -1.121 . . . . 0.0 109.572 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -106.81 146.1 32.42 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.289 -0.882 . . . . 0.0 109.263 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -70.0 -18.9 35.58 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.686 2.257 . . . . 0.0 112.218 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -88.3 7.8 30.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.249 -0.907 . . . . 0.0 109.461 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -90.41 -10.56 43.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.254 -0.904 . . . . 0.0 109.676 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.0 tp 64.95 139.16 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.181 -0.949 . . . . 0.0 109.439 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -133.54 146.19 50.82 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.303 -0.873 . . . . 0.0 109.437 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -103.37 122.08 44.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.207 -0.933 . . . . 0.0 109.376 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.501 ' CG2' ' HE2' ' A' ' 43' ' ' HIS . 2.2 mm -91.2 126.02 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.245 -0.91 . . . . 0.0 109.611 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.17 116.65 32.3 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.294 -0.879 . . . . 0.0 109.323 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.501 ' HE2' ' CG2' ' A' ' 41' ' ' ILE . 14.2 m-70 -110.66 137.36 48.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.157 -0.964 . . . . 0.0 109.464 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.453 ' CD2' ' OD1' ' A' ' 85' ' ' ASP . 33.1 m170 -111.81 135.88 51.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.286 -0.884 . . . . 0.0 109.419 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.469 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 3.4 mp -140.47 144.55 36.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.179 -0.95 . . . . 0.0 109.601 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.552 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -129.73 154.28 47.34 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.303 -0.873 . . . . 0.0 109.497 179.876 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.509 ' C ' ' OE2' ' A' ' 48' ' ' GLU . . . -135.5 171.2 14.78 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.22 -0.925 . . . . 0.0 109.373 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.738 ' H ' ' HZ2' ' A' ' 52' ' ' LYS . 2.1 mp0 -108.61 -12.29 14.99 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.296 -0.877 . . . . 0.0 109.488 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.441 ' H ' ' HE3' ' A' ' 52' ' ' LYS . 66.1 m-20 -135.65 127.63 29.58 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.295 -0.878 . . . . 0.0 109.555 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.76 -17.68 25.32 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.277 -0.89 . . . . 0.0 109.432 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.82 -68.65 0.33 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.27 -0.894 . . . . 0.0 109.447 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.738 ' HZ2' ' H ' ' A' ' 48' ' ' GLU . 5.3 pttt -60.81 -27.82 68.33 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.218 -0.926 . . . . 0.0 109.437 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.7 tt -61.49 -56.53 19.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.277 -0.89 . . . . 0.0 109.573 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.86 -42.4 84.42 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.227 -0.92 . . . . 0.0 109.518 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -60.52 -60.92 3.03 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.244 -0.91 . . . . 0.0 109.529 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.21 -57.4 11.31 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.268 -0.895 . . . . 0.0 109.793 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.498 ' O ' ' C ' ' A' ' 58' ' ' VAL . . . -45.28 -62.67 1.17 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.149 -0.969 . . . . 0.0 109.685 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.498 ' C ' ' O ' ' A' ' 57' ' ' ALA . 2.0 t -38.6 -51.52 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.289 -0.882 . . . . 0.0 109.571 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.48 ' O ' ' C ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -55.54 -57.26 12.66 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.29 -0.881 . . . . 0.0 109.694 -179.638 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.48 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . -40.03 -47.09 2.23 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.2 -0.938 . . . . 0.0 109.587 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -63.36 -40.41 97.18 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.222 -0.924 . . . . 0.0 109.682 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -60.36 -41.14 93.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.235 -0.916 . . . . 0.0 109.571 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 28.2 mtm -69.12 -48.66 61.88 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.22 -0.925 . . . . 0.0 109.477 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.38 32.73 0.09 OUTLIER Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.624 ' CE2' ' SD ' ' A' ' 88' ' ' MET . 32.6 m-85 -108.73 118.56 37.09 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.26 -1.141 . . . . 0.0 109.465 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -69.37 86.71 0.43 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.209 -0.932 . . . . 0.0 109.416 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 9.4 p -62.59 132.26 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.259 -0.901 . . . . 0.0 109.393 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.48 150.1 28.61 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.29 -0.881 . . . . 0.0 109.632 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -48.95 152.85 0.96 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.43 -0.794 . . . . 0.0 109.667 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -101.27 167.71 10.02 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.472 -0.767 . . . . 0.0 109.202 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.516 ' O ' ' C ' ' A' ' 72' ' ' GLU . 71.7 tt0 -136.41 112.23 9.51 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.172 -0.955 . . . . 0.0 109.539 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.576 ' H ' ' CD ' ' A' ' 72' ' ' GLU . 1.2 pm0 -37.74 100.92 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.355 -0.84 . . . . 0.0 109.379 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 71' ' ' GLU . 12.5 t -101.88 -156.42 0.56 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.299 -0.875 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.448 ' N ' HG21 ' A' ' 73' ' ' THR . 0.4 OUTLIER -150.62 136.87 18.6 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.252 -0.905 . . . . 0.0 109.529 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.648 ' O ' ' N ' ' A' ' 77' ' ' ASP . 59.4 t0 -69.15 48.59 0.07 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.321 -0.862 . . . . 0.0 109.412 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.499 ' C ' ' O ' ' A' ' 75' ' ' ASP . 5.7 mt-10 38.69 21.56 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.277 -0.889 . . . . 0.0 109.469 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.648 ' N ' ' O ' ' A' ' 75' ' ' ASP . 14.8 t70 -130.06 -31.72 1.88 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.226 -0.921 . . . . 0.0 109.606 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 126.71 35.43 0.56 Allowed Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -106.1 -158.61 0.66 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.179 -1.189 . . . . 0.0 109.353 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -159.94 95.57 1.18 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.244 -0.91 . . . . 0.0 109.65 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.455 HD11 ' H ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -127.28 144.57 51.02 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.273 -0.892 . . . . 0.0 109.299 179.738 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.41 132.92 38.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.194 -0.941 . . . . 0.0 109.438 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.4 p -123.7 106.85 10.86 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.206 -0.934 . . . . 0.0 109.478 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 45' ' ' LEU . 9.0 p90 -99.14 161.39 13.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.114 -0.991 . . . . 0.0 109.382 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.453 ' OD1' ' CD2' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -109.23 171.48 7.41 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.251 -0.906 . . . . 0.0 109.715 -179.664 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -155.41 125.77 6.77 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.418 -0.802 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.46 149.82 35.72 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.085 -1.01 . . . . 0.0 109.82 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.624 ' SD ' ' CE2' ' A' ' 65' ' ' PHE . 13.0 ttt -152.55 111.07 3.74 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.372 -0.83 . . . . 0.0 109.37 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -58.43 144.37 42.26 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.29 -0.881 . . . . 0.0 109.653 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.47 170.63 14.23 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.28 -0.887 . . . . 0.0 109.421 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.54 ' O ' ' C ' ' A' ' 92' ' ' LEU . . . -102.3 122.13 43.63 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.218 -0.926 . . . . 0.0 109.561 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.54 ' C ' ' O ' ' A' ' 91' ' ' ALA . 4.7 tp -36.19 102.39 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.257 -0.902 . . . . 0.0 109.461 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.515 ' O ' ' C ' ' A' ' 94' ' ' ALA . 1.4 m-20 -159.73 97.22 1.29 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.198 -0.939 . . . . 0.0 109.561 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 93' ' ' ASP . . . -37.31 -47.0 0.8 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.257 -0.902 . . . . 0.0 109.416 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.494 ' CB ' ' HZ2' ' A' ' 95' ' ' LYS . 6.4 mtpm? -52.45 -55.0 24.84 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.224 -0.923 . . . . 0.0 109.404 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 99' ' ' GLU . 0.2 OUTLIER -64.7 -61.63 2.07 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.25 -0.906 . . . . 0.0 109.102 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.492 ' C ' ' O ' ' A' ' 96' ' ' LEU . 34.4 mt -38.68 -38.14 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.39 -0.819 . . . . 0.0 109.396 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.615 ' OD2' ' NZ ' ' A' ' 18' ' ' LYS . 89.9 m-20 -67.3 -41.42 85.38 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.192 -0.943 . . . . 0.0 109.321 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 96' ' ' LEU . 5.0 mm-40 -61.39 -43.06 99.52 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.313 -0.867 . . . . 0.0 109.374 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.412 HE22 HG13 ' A' ' 41' ' ' ILE . 7.5 mt-30 -63.27 -44.13 95.97 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.271 -0.893 . . . . 0.0 109.294 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.539 ' O ' ' C ' ' A' ' 102' ' ' GLU . 69.8 t -64.88 -63.13 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.295 -0.878 . . . . 0.0 109.493 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.539 ' C ' ' O ' ' A' ' 101' ' ' VAL . 4.2 tt0 -35.76 -47.57 0.5 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.299 -0.876 . . . . 0.0 109.553 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -60.3 -42.73 96.11 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.236 -0.915 . . . . 0.0 109.476 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 101' ' ' VAL . 84.2 mt -71.24 -17.81 62.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.303 -0.873 . . . . 0.0 109.698 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.0 t -82.51 -50.95 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.217 -0.927 . . . . 0.0 109.745 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.522 ' N ' ' OD1' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -66.04 -43.26 88.05 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.209 -0.932 . . . . 0.0 109.906 -179.69 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.15 -50.49 61.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.281 -0.887 . . . . 0.0 109.676 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -49.85 -53.25 26.84 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.276 -0.89 . . . . 0.0 109.722 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -69.29 -19.44 63.9 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.242 -0.911 . . . . 0.0 109.644 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.437 ' HB3' ' NZ ' ' A' ' 110' ' ' LYS . 2.1 ttpm? -68.01 -32.48 72.9 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.176 -0.953 . . . . 0.0 109.598 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.563 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 11.4 m-85 -97.7 -77.22 0.5 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.189 -0.944 . . . . 0.0 109.689 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.587 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER 170.41 30.62 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.197 -0.939 . . . . 0.0 109.681 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 22.2 pt -114.26 173.68 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.221 -0.925 . . . . 0.0 109.192 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.8 tt -123.85 131.23 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.049 -1.032 . . . . 0.0 109.822 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.687 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 1.4 t80 -101.89 95.55 6.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.404 -0.81 . . . . 0.0 108.932 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -142.05 80.48 1.71 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.232 -0.917 . . . . 0.0 109.683 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 159.3 77.27 0.02 OUTLIER Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -116.49 150.6 37.64 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.052 -1.264 . . . . 0.0 109.153 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.12 167.69 36.16 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.605 ' HG1' ' N ' ' A' ' 121' ' ' TYR . 4.4 t -127.42 167.7 15.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.405 -1.056 . . . . 0.0 109.391 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.605 ' N ' ' HG1' ' A' ' 120' ' ' THR . 0.2 OUTLIER -86.99 103.85 15.74 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.233 -0.917 . . . . 0.0 109.577 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -63.24 147.94 49.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.192 -0.942 . . . . 0.0 109.223 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.0 82.72 2.79 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.201 -0.937 . . . . 0.0 109.455 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -170.53 -123.42 0.69 Allowed Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 55.19 89.19 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.188 -1.184 . . . . 0.0 109.375 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -102.59 144.21 31.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.29 -0.881 . . . . 0.0 109.683 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 128' ' ' HIS . 1.8 m80 58.43 87.39 0.07 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.273 -0.892 . . . . 0.0 109.559 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 127' ' ' HIS . 33.8 m80 -45.05 126.04 5.67 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.137 -0.977 . . . . 0.0 109.075 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -176.3 166.8 2.84 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.094 -1.004 . . . . 0.0 109.94 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.68 ' N ' ' ND1' ' A' ' 130' ' ' HIS . 0.0 OUTLIER -132.74 -134.75 0.18 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.417 -0.802 . . . . 0.0 109.216 179.853 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.552 ' O ' ' OXT' ' A' ' 132' ' ' HIS . 1.9 t60 -137.33 -156.94 0.73 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.2 -0.938 . . . . 0.0 109.521 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.552 ' OXT' ' O ' ' A' ' 131' ' ' HIS . 22.5 t-160 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.511 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.589 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.523 ' C ' ' H ' ' A' ' 4' ' ' GLN . 10.4 t -51.11 -26.47 6.58 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.337 -0.852 . . . . 0.0 109.343 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.48 ' CB ' ' O ' ' A' ' 2' ' ' SER . 9.3 t-80 73.98 -30.34 0.21 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.266 -0.896 . . . . 0.0 109.341 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.523 ' H ' ' C ' ' A' ' 2' ' ' SER . 21.7 mt-30 55.7 91.95 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.322 -0.861 . . . . 0.0 109.553 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.563 ' O ' ' OD1' ' A' ' 6' ' ' ASP . 5.7 m-20 -78.73 -111.87 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.236 -0.915 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.563 ' OD1' ' O ' ' A' ' 5' ' ' ASP . 0.7 OUTLIER -160.52 -28.6 0.06 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.192 -0.942 . . . . 0.0 109.339 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.655 ' O ' ' N ' ' A' ' 9' ' ' SER . 35.5 m-85 -144.92 59.49 1.31 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.263 -0.898 . . . . 0.0 109.378 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.528 ' H ' ' CD1' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -43.5 87.32 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.267 -0.895 . . . . 0.0 109.45 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.655 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -77.43 110.24 12.03 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.258 -0.901 . . . . 0.0 109.651 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.6 m -59.61 -16.85 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.231 -0.918 . . . . 0.0 109.121 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -70.15 -58.25 4.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.396 -0.815 . . . . 0.0 109.587 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.411 ' CG ' ' N ' ' A' ' 13' ' ' LEU . 5.3 pt-20 -56.68 -34.64 67.59 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.199 -0.938 . . . . 0.0 109.483 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.411 ' N ' ' CG ' ' A' ' 12' ' ' GLU . 89.4 mt -69.84 -43.19 72.43 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.19 -0.944 . . . . 0.0 109.309 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.2 mt -61.49 -37.94 78.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.286 -0.884 . . . . 0.0 109.506 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -63.05 -56.58 15.75 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.276 -0.89 . . . . 0.0 109.478 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.4 mt -47.94 -67.12 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.334 -0.854 . . . . 0.0 109.643 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -45.71 -39.16 7.7 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.305 -0.872 . . . . 0.0 109.777 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.2 ttmt -58.16 -39.51 79.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.223 -0.923 . . . . 0.0 109.56 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -74.01 -56.92 4.35 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.247 -0.908 . . . . 0.0 109.446 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -48.66 -61.24 2.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.268 -0.895 . . . . 0.0 109.571 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.489 ' O ' ' C ' ' A' ' 22' ' ' ARG . 98.4 m -48.04 -63.21 1.13 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.253 -0.904 . . . . 0.0 109.578 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.489 ' C ' ' O ' ' A' ' 21' ' ' THR . 1.5 ttp180 -39.05 -37.61 0.39 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.287 -0.883 . . . . 0.0 109.653 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -47.4 71.82 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.198 -0.939 . . . . 0.0 109.502 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.475 ' O ' ' C ' ' A' ' 25' ' ' ILE . 19.2 mt -63.32 -61.12 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.293 -0.879 . . . . 0.0 109.526 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.475 ' C ' ' O ' ' A' ' 24' ' ' ILE . 11.4 mm -39.21 -48.02 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.253 -0.904 . . . . 0.0 109.571 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -60.05 -43.07 95.62 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.181 -0.95 . . . . 0.0 109.397 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . -61.24 -65.03 0.76 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.26 -0.9 . . . . 0.0 109.424 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.668 ' O ' ' N ' ' A' ' 32' ' ' GLY . 13.9 mt -43.98 -52.3 7.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.309 -0.869 . . . . 0.0 109.378 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.7 mt -50.66 -33.64 23.26 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.255 -0.903 . . . . 0.0 109.538 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 27' ' ' ALA . 1.4 tt0 -74.2 -37.78 63.81 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.215 -0.928 . . . . 0.0 109.581 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -129.49 42.0 3.36 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.203 -0.935 . . . . 0.0 109.519 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.668 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -178.63 27.95 0.06 OUTLIER Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.53 75.35 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.248 -1.148 . . . . 0.0 109.599 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -138.32 52.24 4.55 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.138 -0.976 . . . . 0.0 109.411 179.806 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 34' ' ' ASP . 27.1 Cg_endo -65.47 -19.35 60.98 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.875 2.383 . . . . 0.0 112.225 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -85.46 -6.55 59.19 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.259 -0.901 . . . . 0.0 109.474 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.11 10.71 36.75 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.287 -0.883 . . . . 0.0 109.456 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.468 HD12 ' H ' ' A' ' 39' ' ' TYR . 0.2 OUTLIER 64.56 141.25 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.284 -0.885 . . . . 0.0 109.359 179.897 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.468 ' H ' HD12 ' A' ' 38' ' ' LEU . 2.1 m-85 -119.25 169.33 10.06 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.32 -0.863 . . . . 0.0 109.445 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -123.6 114.72 20.4 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.272 -0.893 . . . . 0.0 109.546 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.439 ' N ' HD13 ' A' ' 41' ' ' ILE . 6.6 mm -90.0 154.4 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.257 -0.902 . . . . 0.0 109.403 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -137.8 122.15 18.24 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.206 -0.934 . . . . 0.0 109.616 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -116.19 138.47 51.25 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.274 -0.891 . . . . 0.0 109.614 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -114.06 131.16 56.48 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.248 -0.908 . . . . 0.0 109.245 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.458 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 3.0 mp -135.42 147.75 49.09 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.365 -0.834 . . . . 0.0 109.428 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.601 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 1.7 p90 -134.66 150.61 50.66 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 0.0 109.656 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.46 176.91 8.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.444 -0.785 . . . . 0.0 109.682 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -112.09 -52.61 2.77 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.379 -0.825 . . . . 0.0 109.298 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.67 ' O ' ' N ' ' A' ' 51' ' ' ASP . 5.1 t0 -79.58 99.91 7.54 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.231 -0.918 . . . . 0.0 109.508 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -43.76 -12.08 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.244 -0.91 . . . . 0.0 109.506 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.67 ' N ' ' O ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -73.78 -66.69 0.67 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.198 -0.939 . . . . 0.0 109.512 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -59.96 -18.93 49.16 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.189 -0.944 . . . . 0.0 109.653 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.498 ' CD2' ' C ' ' A' ' 53' ' ' LEU . 3.7 tt -71.83 -62.95 1.24 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.184 -0.947 . . . . 0.0 109.605 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -59.84 -20.45 57.07 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.227 -0.921 . . . . 0.0 109.509 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -76.84 -54.98 5.9 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.28 -0.888 . . . . 0.0 109.384 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.96 -31.51 72.64 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.303 -0.873 . . . . 0.0 109.364 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.7 -51.62 47.37 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.317 -0.864 . . . . 0.0 109.475 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.9 t -50.41 -56.32 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.253 -0.904 . . . . 0.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -48.41 -52.79 20.35 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.248 -0.908 . . . . 0.0 109.384 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -46.67 -47.93 20.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.249 -0.907 . . . . 0.0 109.266 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -52.23 -54.22 33.77 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.318 -0.864 . . . . 0.0 109.489 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -46.94 -41.38 16.01 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.274 -0.891 . . . . 0.0 109.431 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 60.1 mtt -63.54 -56.97 11.82 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.249 -0.907 . . . . 0.0 109.381 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.07 43.34 0.04 OUTLIER Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.444 ' CD1' ' HB2' ' A' ' 88' ' ' MET . 18.3 m-85 -113.32 145.97 40.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.283 -1.128 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.657 ' OE1' ' N ' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -89.42 70.87 8.08 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.254 -0.903 . . . . 0.0 109.415 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.9 p -46.57 149.11 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.242 -0.911 . . . . 0.0 109.411 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -132.6 150.03 52.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.294 -0.879 . . . . 0.0 109.59 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -56.45 172.79 0.21 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.258 -0.902 . . . . 0.0 109.696 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.467 ' HB3' ' N ' ' A' ' 83' ' ' CYS . . . -119.86 -179.86 4.04 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.427 -0.796 . . . . 0.0 109.416 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.472 ' O ' ' C ' ' A' ' 72' ' ' GLU . 43.7 tt0 -146.38 135.78 22.92 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.15 -0.969 . . . . 0.0 109.525 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -40.1 111.89 0.23 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.224 -0.923 . . . . 0.0 109.285 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.755 ' HG1' ' H ' ' A' ' 74' ' ' GLU . 11.9 t -113.11 -165.59 1.01 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.21 -0.931 . . . . 0.0 109.65 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.755 ' H ' ' HG1' ' A' ' 73' ' ' THR . 4.7 pt-20 -159.84 138.47 10.57 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.388 -0.82 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 76' ' ' GLU . 9.9 t70 -94.83 -165.36 1.29 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.154 -0.966 . . . . 0.0 109.518 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.507 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 6.8 mt-10 -80.98 20.74 0.76 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.223 -0.923 . . . . 0.0 109.637 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -127.35 -16.7 4.86 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.234 -0.916 . . . . 0.0 109.474 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 89.49 80.21 1.33 Allowed Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.594 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 24.0 t-20 -154.3 119.11 4.93 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.277 -1.131 . . . . 0.0 109.515 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.0 107.69 1.32 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.222 -0.924 . . . . 0.0 109.382 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.594 ' CD1' ' O ' ' A' ' 79' ' ' ASN . 0.6 OUTLIER -118.85 161.52 20.03 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.208 -0.933 . . . . 0.0 109.427 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.479 ' CD2' ' N ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -100.18 129.29 46.18 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.22 -0.925 . . . . 0.0 109.502 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.64 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 24.3 p -123.79 100.03 6.57 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.413 -0.804 . . . . 0.0 109.927 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.458 ' CZ ' ' HB2' ' A' ' 45' ' ' LEU . 19.3 p90 -89.87 157.76 17.75 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.214 -0.929 . . . . 0.0 108.748 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.671 ' OD1' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -112.27 171.56 7.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.082 -1.011 . . . . 0.0 110.352 -179.187 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.671 ' N ' ' OD1' ' A' ' 85' ' ' ASP . . . -150.91 110.82 4.08 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.458 ' HG1' ' HB2' ' A' ' 66' ' ' GLU . 0.1 OUTLIER -103.13 159.31 15.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.304 -0.872 . . . . 0.0 109.953 -179.439 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.481 ' SD ' ' NE2' ' A' ' 100' ' ' GLN . 0.9 OUTLIER -160.88 117.08 2.26 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.314 -0.866 . . . . 0.0 109.346 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -76.19 123.57 26.07 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.201 -0.937 . . . . 0.0 109.414 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.428 ' OG ' ' CD2' ' A' ' 96' ' ' LEU . 1.3 t -157.37 152.09 25.44 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.222 -0.924 . . . . 0.0 109.557 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.19 163.42 0.23 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.338 -0.851 . . . . 0.0 109.639 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.414 ' HB2' ' CD1' ' A' ' 39' ' ' TYR . 5.9 tp -92.07 106.17 18.25 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.241 -0.912 . . . . 0.0 109.335 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -152.84 121.54 6.44 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.202 -0.936 . . . . 0.0 109.542 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -47.87 -65.35 0.58 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.271 -0.893 . . . . 0.0 109.471 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.535 ' O ' ' N ' ' A' ' 98' ' ' ASP . 10.6 mttt -40.15 -65.0 0.44 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.254 -0.904 . . . . 0.0 109.424 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.465 ' C ' ' O ' ' A' ' 95' ' ' LYS . 0.4 OUTLIER -41.89 -56.05 2.87 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.196 -0.94 . . . . 0.0 109.193 179.855 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 32.6 mt -54.07 -27.98 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.396 -0.815 . . . . 0.0 109.29 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.535 ' N ' ' O ' ' A' ' 95' ' ' LYS . 0.4 OUTLIER -69.74 -56.39 7.3 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.265 -0.897 . . . . 0.0 109.447 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -56.35 -33.94 66.14 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.198 -0.939 . . . . 0.0 109.473 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.481 ' NE2' ' SD ' ' A' ' 88' ' ' MET . 31.0 mt-30 -69.16 -62.1 1.52 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.252 -0.905 . . . . 0.0 109.414 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 38.0 t -52.34 -44.4 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.296 -0.877 . . . . 0.0 109.253 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.679 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 0.9 OUTLIER -56.18 -38.26 70.7 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.397 -0.814 . . . . 0.0 109.482 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 13.8 mttm -66.83 -42.6 85.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.165 -0.96 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.9 mt -68.52 -32.05 71.74 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.191 -0.943 . . . . 0.0 109.393 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 75.8 t -68.51 -39.3 80.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.368 -0.833 . . . . 0.0 109.862 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.679 ' ND2' ' O ' ' A' ' 102' ' ' GLU . 0.4 OUTLIER -68.34 -52.67 30.79 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.229 -0.919 . . . . 0.0 109.713 -179.743 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.3 tp -58.9 -51.0 71.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.08 -1.013 . . . . 0.0 109.55 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.3 -56.72 5.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.335 -0.853 . . . . 0.0 109.709 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -67.07 -16.67 64.49 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.244 -0.91 . . . . 0.0 109.738 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.3 tttm -76.04 -23.12 55.09 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.139 -0.976 . . . . 0.0 109.661 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.476 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 23.5 m-85 -107.79 -77.2 0.6 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.184 -0.947 . . . . 0.0 109.852 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.3 OUTLIER 167.92 34.96 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.062 -1.023 . . . . 0.0 109.838 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.2 pt -119.46 157.23 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.092 -1.005 . . . . 0.0 109.559 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.474 HG21 ' CE2' ' A' ' 46' ' ' PHE . 0.7 OUTLIER -104.19 120.78 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.285 -0.884 . . . . 0.0 109.429 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.564 ' O ' ' CD1' ' A' ' 115' ' ' TYR . 2.5 t80 -97.61 111.57 23.79 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.285 -0.884 . . . . 0.0 109.424 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.636 ' N ' ' OD1' ' A' ' 116' ' ' ASP . 2.6 p-10 -160.08 79.17 0.68 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.232 -0.917 . . . . 0.0 109.585 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 171.57 68.75 0.04 OUTLIER Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.433 -1.467 . . . . 0.0 109.433 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -111.42 146.17 37.65 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.204 -1.174 . . . . 0.0 109.584 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -164.54 174.3 40.55 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.95 169.79 16.91 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.232 -1.158 . . . . 0.0 109.605 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -127.28 133.73 50.13 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.228 -0.92 . . . . 0.0 109.398 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 123' ' ' GLU . 5.2 t80 -77.3 138.17 39.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.184 -0.947 . . . . 0.0 109.428 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.457 ' N ' ' CD1' ' A' ' 122' ' ' TYR . 0.4 OUTLIER -70.82 101.96 2.24 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.231 -0.918 . . . . 0.0 109.425 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 146.34 -143.91 12.14 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 55.05 57.14 5.83 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.225 -1.162 . . . . 0.0 109.457 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -112.28 25.79 11.19 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.996 -1.065 . . . . 0.0 109.561 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.3 79.62 2.33 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.299 -0.876 . . . . 0.0 109.238 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.537 ' O ' ' CG ' ' A' ' 129' ' ' HIS . 2.0 p-80 -88.71 58.82 4.81 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.212 -0.93 . . . . 0.0 109.588 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 128' ' ' HIS . 3.6 m80 -171.37 99.6 0.2 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.25 -0.906 . . . . 0.0 109.641 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.478 ' N ' ' ND1' ' A' ' 130' ' ' HIS . 0.2 OUTLIER -135.96 0.6 2.66 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.357 -0.839 . . . . 0.0 109.023 179.877 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.615 ' O ' ' CG ' ' A' ' 131' ' ' HIS . 54.2 t60 -83.29 51.67 2.03 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.291 -0.881 . . . . 0.0 109.451 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 131' ' ' HIS . 40.1 m170 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 117.965 -1.017 . . . . 0.0 109.407 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.33 0.586 . . . . 0.0 109.53 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -149.29 53.17 0.96 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.272 -0.892 . . . . 0.0 109.42 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -76.62 -173.54 2.61 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.294 -0.878 . . . . 0.0 109.606 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.16 150.1 49.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.216 -0.928 . . . . 0.0 109.301 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.53 ' O ' ' C ' ' A' ' 6' ' ' ASP . 0.0 OUTLIER -165.73 67.64 0.12 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.135 -0.978 . . . . 0.0 109.826 -179.854 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.53 ' C ' ' O ' ' A' ' 5' ' ' ASP . 1.0 OUTLIER 33.59 58.12 0.54 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.33 -0.856 . . . . 0.0 109.726 179.805 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.53 ' C ' ' O ' ' A' ' 6' ' ' ASP . 0.2 OUTLIER -36.99 122.99 0.86 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.244 -0.91 . . . . 0.0 109.405 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 pp -107.39 139.51 41.77 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.271 -0.893 . . . . 0.0 109.529 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.2 116.26 31.57 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.208 -0.933 . . . . 0.0 109.44 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.0 m -50.17 -27.4 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.3 -0.875 . . . . 0.0 109.576 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.507 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 22.8 tt0 -55.51 -62.2 1.84 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.312 -0.868 . . . . 0.0 109.698 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 13' ' ' LEU . 2.0 mt-10 -54.53 -57.83 9.83 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.258 -0.902 . . . . 0.0 109.743 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 13' ' ' LEU . 7.3 mt -44.04 -44.96 7.74 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.206 -0.933 . . . . 0.0 109.629 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.2 mt -61.08 -39.18 81.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.152 -0.967 . . . . 0.0 109.513 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.507 ' OE1' ' O ' ' A' ' 11' ' ' GLU . 2.0 mp0 -63.12 -57.06 11.84 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.273 -0.892 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.0 mm -54.52 -29.39 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.247 -0.908 . . . . 0.0 109.505 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.437 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -74.43 -37.3 63.33 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.328 -0.857 . . . . 0.0 109.375 -179.885 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -64.02 -37.98 89.42 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.333 -0.855 . . . . 0.0 109.368 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -72.24 -44.53 62.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.219 -0.926 . . . . 0.0 109.262 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.3 -55.07 38.18 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.354 -0.841 . . . . 0.0 109.265 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 17' ' ' GLN . 1.5 m -47.61 -57.6 5.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.317 -0.865 . . . . 0.0 109.339 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -49.82 -38.23 33.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.302 -0.874 . . . . 0.0 109.473 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -65.88 -41.75 91.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.222 -0.924 . . . . 0.0 109.562 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.481 ' O ' ' C ' ' A' ' 25' ' ' ILE . 86.0 mt -72.3 -63.58 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.189 -0.944 . . . . 0.0 109.511 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.481 ' C ' ' O ' ' A' ' 24' ' ' ILE . 34.6 mm -39.25 -38.4 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.216 -0.928 . . . . 0.0 109.406 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -68.55 -55.03 13.02 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.189 -0.944 . . . . 0.0 109.382 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.46 -48.71 65.68 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.321 -0.862 . . . . 0.0 109.48 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.67 ' O ' ' N ' ' A' ' 32' ' ' GLY . 15.5 mt -55.39 -54.57 42.1 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.181 -0.949 . . . . 0.0 109.263 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.407 HD11 ' N ' ' A' ' 29' ' ' LEU . 7.2 mp -58.03 -19.02 28.07 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.347 -0.845 . . . . 0.0 109.567 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.56 ' O ' ' OD1' ' A' ' 31' ' ' ASP . 20.2 tt0 -81.79 -31.6 31.76 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.13 -0.981 . . . . 0.0 109.582 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.56 ' OD1' ' O ' ' A' ' 30' ' ' GLU . 22.1 m-20 -143.36 29.88 1.41 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.194 -0.941 . . . . 0.0 109.699 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.67 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -173.4 38.74 0.14 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.514 ' O ' ' O ' ' A' ' 32' ' ' GLY . 68.0 m -57.99 -121.43 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.259 -1.142 . . . . 0.0 109.491 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.536 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 3.9 m-20 53.89 49.09 5.46 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.296 -0.878 . . . . 0.0 109.548 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 34' ' ' ASP . 40.6 Cg_endo -70.31 -2.66 10.94 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.746 2.297 . . . . 0.0 112.054 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.641 ' OD1' ' N ' ' A' ' 36' ' ' ASP . 0.2 OUTLIER -88.5 -17.3 30.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.22 -0.925 . . . . 0.0 109.395 179.902 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' A' ' 38' ' ' LEU . . . -71.08 -84.32 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.25 -0.906 . . . . 0.0 109.34 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.407 ' CB ' ' O ' ' A' ' 37' ' ' ALA . 0.9 OUTLIER 169.04 150.44 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.237 -0.914 . . . . 0.0 109.481 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -138.22 157.89 45.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.306 -0.871 . . . . 0.0 109.457 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -119.57 116.04 25.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.305 -0.872 . . . . 0.0 109.462 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.627 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 1.8 mp -85.65 136.87 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.329 -0.857 . . . . 0.0 109.325 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.431 ' OE2' ' CE2' ' A' ' 121' ' ' TYR . 6.3 mt-10 -113.46 126.39 55.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.125 -0.984 . . . . 0.0 109.749 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.5 ' CD2' ' CD1' ' A' ' 104' ' ' LEU . 71.5 m-70 -117.39 129.72 56.03 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.301 -0.874 . . . . 0.0 109.075 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.55 ' ND1' ' O ' ' A' ' 117' ' ' GLY . 26.3 m80 -109.22 134.01 52.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.148 -0.97 . . . . 0.0 109.938 -179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.468 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 5.5 mp -137.05 142.88 42.42 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.458 -0.776 . . . . 0.0 109.249 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.676 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -119.37 157.74 27.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.218 -0.926 . . . . 0.0 109.661 -179.854 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -138.68 173.72 11.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.333 -0.854 . . . . 0.0 109.533 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.47 ' H ' ' HE3' ' A' ' 52' ' ' LYS . 30.1 mt-10 -109.89 -29.04 8.46 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.282 -0.886 . . . . 0.0 109.588 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.435 ' H ' ' CE ' ' A' ' 52' ' ' LYS . 11.7 t0 -118.8 133.82 55.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.208 -0.933 . . . . 0.0 109.586 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -60.73 -25.02 66.15 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.288 -0.883 . . . . 0.0 109.455 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.83 -74.08 0.08 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.245 -0.91 . . . . 0.0 109.602 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.47 ' HE3' ' H ' ' A' ' 48' ' ' GLU . 19.7 pttt -56.62 -25.37 52.93 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.26 -0.9 . . . . 0.0 109.642 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.9 tt -64.3 -53.9 41.57 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.16 -0.963 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -63.72 -28.24 69.76 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.176 -0.953 . . . . 0.0 109.193 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 111' ' ' PHE . 38.8 mmtt -67.97 -67.84 0.43 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.273 -0.892 . . . . 0.0 109.333 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.54 -48.16 38.74 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.276 -0.89 . . . . 0.0 109.297 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.31 -62.21 1.8 Allowed 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.293 -0.879 . . . . 0.0 109.246 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 50.3 t -49.45 -36.71 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.248 -0.907 . . . . 0.0 109.179 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -51.86 66.55 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.285 -0.885 . . . . 0.0 109.246 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.51 -44.98 95.05 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.314 -0.866 . . . . 0.0 109.204 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -52.16 -35.61 49.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.269 -0.895 . . . . 0.0 109.297 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 63' ' ' MET . 10.0 tttm -71.27 -53.68 13.45 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.239 -0.913 . . . . 0.0 109.364 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 62' ' ' LYS . 33.2 mtm -42.71 -49.26 5.64 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.284 -0.885 . . . . 0.0 109.447 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.05 33.91 0.09 OUTLIER Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.455 ' CZ ' ' HE2' ' A' ' 88' ' ' MET . 54.4 m-85 -107.66 154.27 21.71 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.239 -1.154 . . . . 0.0 109.504 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.58 74.72 3.24 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.257 -0.902 . . . . 0.0 109.228 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 p -46.41 144.8 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.291 -0.881 . . . . 0.0 109.501 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.507 ' O ' ' O ' ' A' ' 69' ' ' GLU . 0.8 OUTLIER -128.38 136.06 50.39 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.294 -0.879 . . . . 0.0 109.353 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.507 ' O ' ' O ' ' A' ' 68' ' ' LEU . 41.6 tt0 -39.6 161.61 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.245 -0.909 . . . . 0.0 109.399 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.443 ' N ' ' HG2' ' A' ' 69' ' ' GLU . . . -104.96 176.88 5.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.178 -0.951 . . . . 0.0 109.765 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 73' ' ' THR . 3.7 tt0 -131.16 120.54 23.46 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.37 -0.832 . . . . 0.0 109.158 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.81 89.25 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.245 -0.91 . . . . 0.0 109.81 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.547 ' OG1' ' N ' ' A' ' 74' ' ' GLU . 2.8 t -111.19 -139.81 0.38 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.306 -0.871 . . . . 0.0 109.308 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.547 ' N ' ' OG1' ' A' ' 73' ' ' THR . 24.1 pt-20 -167.63 145.48 4.57 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.235 -0.915 . . . . 0.0 109.528 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.504 ' C ' ' H ' ' A' ' 77' ' ' ASP . 25.6 p-10 -79.27 49.08 0.93 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.27 -0.893 . . . . 0.0 109.257 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.461 ' N ' ' CD ' ' A' ' 76' ' ' GLU . 6.5 mp0 49.04 13.0 0.05 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.305 -0.872 . . . . 0.0 109.283 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.504 ' H ' ' C ' ' A' ' 75' ' ' ASP . 2.7 t70 -112.11 -2.73 14.91 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.38 -0.825 . . . . 0.0 109.517 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.97 43.43 10.97 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.546 -1.421 . . . . 0.0 109.546 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 80' ' ' LYS . 5.0 m-20 -130.89 92.03 3.16 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.251 -1.147 . . . . 0.0 109.453 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 79' ' ' ASN . 16.7 mttp -43.69 116.73 1.01 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.188 -0.945 . . . . 0.0 109.412 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 pp -136.18 141.8 44.08 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.287 -0.883 . . . . 0.0 109.31 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.575 ' CD1' ' N ' ' A' ' 82' ' ' LEU . 5.5 mp -81.21 130.71 35.15 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.207 -0.933 . . . . 0.0 109.805 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.6 p -123.27 100.74 7.0 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.475 -0.765 . . . . 0.0 109.291 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 45' ' ' LEU . 29.3 p90 -91.86 146.8 23.46 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.314 -0.866 . . . . 0.0 109.45 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.623 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 0.1 OUTLIER -107.48 164.23 12.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.239 -0.913 . . . . 0.0 109.685 -179.728 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -143.01 128.61 19.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.355 -0.841 . . . . 0.0 109.158 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.55 139.44 43.31 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.153 -0.967 . . . . 0.0 109.792 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.455 ' HE2' ' CZ ' ' A' ' 65' ' ' PHE . 0.8 OUTLIER -131.0 100.27 5.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.367 -0.833 . . . . 0.0 109.112 179.709 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -67.69 122.72 18.68 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.217 -0.927 . . . . 0.0 109.793 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 93.3 p -165.46 170.74 14.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.338 -0.851 . . . . 0.0 109.302 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.12 -179.11 0.27 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.173 -0.954 . . . . 0.0 109.512 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.7 tp -107.74 98.44 8.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.247 -0.908 . . . . 0.0 109.613 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.469 ' O ' ' C ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -142.08 107.41 5.01 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.198 -0.939 . . . . 0.0 109.282 179.769 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.535 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -38.67 -73.2 0.05 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.207 -0.933 . . . . 0.0 109.661 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.535 ' C ' ' O ' ' A' ' 94' ' ' ALA . 15.7 mmtt -32.73 -60.0 0.32 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.407 -0.808 . . . . 0.0 109.902 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.4 tp -49.77 -45.02 49.16 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.175 -0.953 . . . . 0.0 109.362 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.52 ' N ' ' O ' ' A' ' 94' ' ' ALA . 43.7 mt -59.03 -25.33 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.221 -0.925 . . . . 0.0 109.213 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -74.37 -42.23 59.66 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.254 -0.904 . . . . 0.0 109.242 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -63.97 -39.09 93.35 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.217 -0.927 . . . . 0.0 109.282 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -71.6 -48.89 45.16 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.292 -0.88 . . . . 0.0 109.234 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 12.3 t -57.4 -49.29 80.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.183 -0.948 . . . . 0.0 109.091 179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -56.51 -44.11 80.41 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.2 -0.937 . . . . 0.0 108.954 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -57.12 -43.81 82.7 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.436 -0.79 . . . . 0.0 108.884 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.5 ' CD1' ' CD2' ' A' ' 43' ' ' HIS . 43.4 mt -66.72 -26.99 67.27 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.356 -0.84 . . . . 0.0 109.014 179.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.422 ' O ' ' C ' ' A' ' 106' ' ' ASN . 2.8 t -72.15 -68.1 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.342 -0.849 . . . . 0.0 109.233 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.422 ' C ' ' O ' ' A' ' 105' ' ' VAL . 69.1 m-80 -43.93 -35.69 2.12 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.235 -0.915 . . . . 0.0 109.128 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 110' ' ' LYS . 6.4 tp -69.95 -55.36 9.84 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.408 -0.808 . . . . 0.0 109.554 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 107' ' ' LEU . . . -44.36 -53.74 6.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.272 -0.893 . . . . 0.0 109.516 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -67.77 -23.12 65.19 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.241 -0.912 . . . . 0.0 109.447 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 107' ' ' LEU . 4.1 ttpp -63.55 -33.61 75.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.268 -0.895 . . . . 0.0 109.492 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.538 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 4.5 m-85 -102.36 -77.07 0.56 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.253 -0.904 . . . . 0.0 109.493 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.538 ' OD1' ' O ' ' A' ' 111' ' ' PHE . 0.8 OUTLIER 168.45 32.93 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.325 -0.859 . . . . 0.0 109.361 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 12.9 pt -117.18 -179.9 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.273 -0.892 . . . . 0.0 109.339 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.1 tt -124.52 150.81 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.235 -0.915 . . . . 0.0 109.844 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.625 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 6.7 t80 -125.13 92.11 3.57 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.329 -0.857 . . . . 0.0 109.116 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -140.9 64.57 1.42 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.267 -0.895 . . . . 0.0 109.687 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.55 ' O ' ' ND1' ' A' ' 44' ' ' HIS . . . 177.53 84.78 0.06 OUTLIER Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.92 -1.272 . . . . 0.0 109.92 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -120.44 147.73 44.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.228 -1.16 . . . . 0.0 109.09 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.95 152.83 23.35 Favored Glycine 0 N--CA 1.491 2.329 0 C-N-CA 119.652 -1.261 . . . . 0.0 110.016 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 6.0 t -134.65 158.37 44.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.364 -1.08 . . . . 0.0 109.347 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.431 ' CE2' ' OE2' ' A' ' 42' ' ' GLU . 45.7 m-85 -130.84 159.28 37.82 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.192 -0.943 . . . . 0.0 109.557 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.747 ' CG ' ' N ' ' A' ' 123' ' ' GLU . 49.0 t80 -92.89 -178.65 4.89 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.249 -0.907 . . . . 0.0 109.565 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.747 ' N ' ' CG ' ' A' ' 122' ' ' TYR . 10.4 mt-10 -84.95 173.58 10.45 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.332 -0.855 . . . . 0.0 109.574 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.486 ' C ' ' O ' ' A' ' 123' ' ' GLU . . . 39.14 61.12 1.48 Allowed Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.1 tt -131.07 117.92 19.82 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.207 -1.173 . . . . 0.0 109.34 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -89.58 -47.28 8.07 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.314 -0.866 . . . . 0.0 109.711 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -168.39 126.41 1.11 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.183 -0.948 . . . . 0.0 109.555 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -76.49 -69.77 0.49 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.197 -0.939 . . . . 0.0 109.48 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -60.75 143.86 53.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.248 -0.907 . . . . 0.0 109.461 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -100.18 102.95 14.39 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.194 -0.942 . . . . 0.0 109.444 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.545 ' CG ' ' H ' ' A' ' 132' ' ' HIS . 15.7 t-80 -111.8 -178.49 3.45 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.299 -0.876 . . . . 0.0 109.445 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.545 ' H ' ' CG ' ' A' ' 131' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 118.054 -0.974 . . . . 0.0 109.401 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.1 ttt . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.245 0.545 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.558 ' O ' ' CG ' ' A' ' 3' ' ' HIS . 1.8 t -142.88 -133.29 0.09 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.334 -0.854 . . . . 0.0 109.325 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.558 ' CG ' ' O ' ' A' ' 2' ' ' SER . 88.3 m-70 -157.71 -92.1 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.189 -0.945 . . . . 0.0 109.681 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -124.53 84.15 2.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.184 -0.947 . . . . 0.0 109.59 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.611 ' CG ' ' N ' ' A' ' 6' ' ' ASP . 2.0 t70 -74.19 176.99 6.1 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.172 -0.955 . . . . 0.0 109.288 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.611 ' N ' ' CG ' ' A' ' 5' ' ' ASP . 46.0 m-20 -84.98 114.83 22.44 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.175 -0.953 . . . . 0.0 109.47 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.587 ' O ' ' CD2' ' A' ' 7' ' ' TYR . 43.3 t80 -124.85 90.71 3.29 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.341 -0.849 . . . . 0.0 109.386 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.7 mt -55.87 -173.7 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.312 -0.868 . . . . 0.0 109.464 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.64 105.21 1.82 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.335 -0.853 . . . . 0.0 109.447 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.7 m -49.16 -19.05 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.266 -0.897 . . . . 0.0 109.434 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.47 -45.67 89.71 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.275 -0.891 . . . . 0.0 109.343 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 13' ' ' LEU . 1.2 mt-10 -75.09 -58.73 3.1 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.207 -0.933 . . . . 0.0 109.343 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 12' ' ' GLU . 14.6 mt -45.18 -40.7 7.47 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.203 -0.936 . . . . 0.0 109.28 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.721 ' CG2' ' HZ2' ' A' ' 18' ' ' LYS . 43.1 mt -64.35 -68.9 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.232 -0.917 . . . . 0.0 109.33 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.544 ' C ' ' O ' ' A' ' 14' ' ' ILE . 3.8 mm-40 -35.68 -42.25 0.24 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.252 -0.905 . . . . 0.0 109.396 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 32.7 mt -67.43 -62.02 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.179 -0.95 . . . . 0.0 109.332 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.417 ' O ' ' OG1' ' A' ' 21' ' ' THR . 31.2 mm100 -46.29 -36.95 6.73 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.125 -0.985 . . . . 0.0 109.186 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.721 ' HZ2' ' CG2' ' A' ' 14' ' ' ILE . 20.7 mttp -60.93 -63.64 1.23 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.217 -0.927 . . . . 0.0 109.032 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.663 ' N ' HH21 ' A' ' 22' ' ' ARG . 3.5 tt0 -49.51 -60.77 2.56 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.361 -0.837 . . . . 0.0 109.215 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 23' ' ' ASP . 15.1 tt0 -45.62 -64.84 0.64 Allowed 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.247 -0.908 . . . . 0.0 109.163 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 20' ' ' GLU . 47.9 m -38.45 -65.49 0.34 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.38 -0.825 . . . . 0.0 109.416 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.663 HH21 ' N ' ' A' ' 19' ' ' GLU . 13.3 mtm180 -43.25 -35.3 1.4 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.279 -0.888 . . . . 0.0 109.192 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 20' ' ' GLU . 7.0 t0 -59.93 -48.05 83.28 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.355 -0.841 . . . . 0.0 109.358 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.468 ' O ' ' C ' ' A' ' 25' ' ' ILE . 54.4 mt -66.69 -59.68 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.271 -0.893 . . . . 0.0 109.317 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.468 ' C ' ' O ' ' A' ' 24' ' ' ILE . 5.4 mm -40.53 -51.03 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.202 -0.936 . . . . 0.0 109.266 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -52.86 -50.82 63.03 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.234 -0.916 . . . . 0.0 109.481 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.507 ' O ' ' OD1' ' A' ' 31' ' ' ASP . . . -59.46 -69.28 0.21 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.203 -0.936 . . . . 0.0 109.463 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.502 ' C ' ' O ' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -36.93 -36.4 0.12 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.324 -0.86 . . . . 0.0 109.314 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' ALA . 1.6 mp -71.49 -46.81 58.81 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.277 -0.889 . . . . 0.0 109.375 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 27' ' ' ALA . 4.5 tt0 -62.89 -32.44 73.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.303 -0.873 . . . . 0.0 109.361 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.662 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -64.72 -29.91 70.9 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.331 -0.856 . . . . 0.0 109.552 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.95 21.91 6.84 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.461 -1.455 . . . . 0.0 109.461 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m -55.86 -170.98 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.295 -1.12 . . . . 0.0 109.576 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -143.96 87.6 7.96 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.295 -0.878 . . . . 0.0 109.52 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.463 ' C ' ' H ' ' A' ' 37' ' ' ALA . 52.3 Cg_exo -51.56 -34.64 53.15 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.968 2.445 . . . . 0.0 112.423 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -71.74 11.55 0.49 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.139 -0.976 . . . . 0.0 109.733 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.463 ' H ' ' C ' ' A' ' 35' ' ' PRO . . . -109.7 13.82 23.58 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.157 -0.965 . . . . 0.0 109.646 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 64.6 143.48 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.226 -0.922 . . . . 0.0 109.435 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -131.44 150.5 52.13 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.211 -0.93 . . . . 0.0 109.478 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.423 ' HB3' HE21 ' A' ' 89' ' ' GLN . 1.2 mp0 -104.99 120.18 40.83 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.309 -0.87 . . . . 0.0 109.208 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.8 mm -93.22 137.98 21.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.195 -0.941 . . . . 0.0 109.542 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.32 137.01 52.13 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.21 -0.931 . . . . 0.0 109.402 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -129.57 126.36 38.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.23 -0.919 . . . . 0.0 109.594 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -106.05 113.78 27.53 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.276 -0.89 . . . . 0.0 109.403 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.488 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 1.4 mp -118.91 148.12 43.27 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.229 -0.919 . . . . 0.0 109.567 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.508 ' CD1' ' N ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -133.43 159.77 39.37 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.362 -0.836 . . . . 0.0 109.425 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.49 160.42 40.32 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.308 -0.87 . . . . 0.0 109.609 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.522 ' OE2' ' ND2' ' A' ' 79' ' ' ASN . 3.5 tp10 -97.81 -12.46 22.18 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.281 -0.887 . . . . 0.0 109.368 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -117.9 124.41 48.21 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.272 -0.893 . . . . 0.0 109.421 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.751 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -59.92 -28.99 68.07 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.212 -0.93 . . . . 0.0 109.307 179.861 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.86 -45.72 49.3 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.331 -0.856 . . . . 0.0 109.099 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -19.91 66.2 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.326 -0.859 . . . . 0.0 108.915 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.6 tt -74.99 -53.43 8.95 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.409 -0.807 . . . . 0.0 109.363 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -61.91 -36.41 81.27 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.339 -0.85 . . . . 0.0 109.562 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -63.97 -64.45 0.89 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.267 -0.896 . . . . 0.0 109.728 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.48 -50.35 72.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.254 -0.904 . . . . 0.0 109.789 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.52 -45.97 69.96 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.213 -0.93 . . . . 0.0 109.586 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.3 t -52.63 -62.49 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.25 -0.906 . . . . 0.0 109.538 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.44 ' OE2' ' CD1' ' A' ' 107' ' ' LEU . 3.2 tt0 -50.01 -25.05 3.0 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.206 -0.934 . . . . 0.0 109.618 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.65 -49.24 41.79 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.22 -0.925 . . . . 0.0 109.67 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.603 ' C ' ' CD1' ' A' ' 61' ' ' PHE . 1.5 t80 -63.75 -32.58 74.13 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.276 -0.89 . . . . 0.0 109.615 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -69.46 -33.53 73.04 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.157 -0.964 . . . . 0.0 109.59 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 8.1 mtm -72.13 -47.11 53.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.295 -0.878 . . . . 0.0 109.591 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 146.62 15.23 0.16 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 67' ' ' VAL . 77.5 m-85 -97.01 112.38 24.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.26 -1.141 . . . . 0.0 109.422 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -59.45 84.63 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.272 -0.892 . . . . 0.0 109.406 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.477 ' N ' ' O ' ' A' ' 65' ' ' PHE . 5.0 p -63.1 137.55 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.398 -0.813 . . . . 0.0 109.655 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.63 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.5 OUTLIER -114.81 139.88 49.38 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.211 -0.93 . . . . 0.0 109.252 179.668 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.569 ' CD ' ' H ' ' A' ' 70' ' ' ALA . 15.7 tp10 -47.83 150.88 0.99 Allowed 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.263 -0.898 . . . . 0.0 109.412 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.569 ' H ' ' CD ' ' A' ' 69' ' ' GLU . . . -102.61 162.91 12.55 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.253 -0.904 . . . . 0.0 109.66 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -125.13 139.56 53.66 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.397 -0.814 . . . . 0.0 109.165 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.578 ' OE2' ' N ' ' A' ' 72' ' ' GLU . 1.1 pm0 -61.12 121.73 13.22 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.285 -0.884 . . . . 0.0 109.681 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.5 t -126.53 -165.61 1.47 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.225 -0.922 . . . . 0.0 109.263 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -140.82 138.32 33.95 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.124 -0.985 . . . . 0.0 109.614 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.554 ' OD1' ' N ' ' A' ' 78' ' ' GLY . 43.1 p-10 -91.58 -174.61 3.93 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.274 -0.891 . . . . 0.0 109.261 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -75.06 30.05 0.09 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.21 -0.931 . . . . 0.0 109.417 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.513 ' H ' ' C ' ' A' ' 75' ' ' ASP . 9.5 t0 -147.41 -49.08 0.18 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.246 -0.909 . . . . 0.0 109.484 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.554 ' N ' ' OD1' ' A' ' 75' ' ' ASP . . . 118.04 54.93 0.29 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.522 ' ND2' ' OE2' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -101.96 -1.19 32.46 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.247 -1.149 . . . . 0.0 109.62 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' A' ' 79' ' ' ASN . 0.0 OUTLIER 45.32 95.1 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.135 -0.978 . . . . 0.0 109.379 179.876 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.518 ' CD1' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -129.46 165.47 21.54 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.206 -0.934 . . . . 0.0 109.644 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.468 ' CD1' ' N ' ' A' ' 82' ' ' LEU . 8.1 mp -107.55 139.89 41.39 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.317 -0.864 . . . . 0.0 109.419 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.422 ' N ' ' HB2' ' A' ' 70' ' ' ALA . 2.3 t -125.45 107.73 10.95 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.254 -0.903 . . . . 0.0 109.832 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.625 ' N ' ' CD1' ' A' ' 84' ' ' PHE . 0.8 OUTLIER -93.27 151.33 19.87 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.29 -0.881 . . . . 0.0 108.985 179.393 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.63 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -103.79 150.6 23.95 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.117 -0.989 . . . . 0.0 109.702 -179.735 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -130.24 140.15 50.73 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.399 -0.813 . . . . 0.0 109.427 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.9 143.74 50.69 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.232 -0.917 . . . . 0.0 109.537 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.13 115.76 5.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.222 -0.924 . . . . 0.0 109.518 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.423 HE21 ' HB3' ' A' ' 40' ' ' GLU . 6.2 mp0 -76.09 133.77 40.2 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.224 -0.923 . . . . 0.0 109.416 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.561 ' HG ' HE22 ' A' ' 100' ' ' GLN . 9.3 p -167.58 161.73 13.83 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.157 -0.965 . . . . 0.0 109.485 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.83 133.74 49.72 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.209 -0.932 . . . . 0.0 109.467 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.48 85.01 0.1 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.23 -0.919 . . . . 0.0 109.382 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.24 126.4 31.46 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.173 -0.954 . . . . 0.0 109.525 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -46.0 -59.82 2.63 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.201 -0.937 . . . . 0.0 109.463 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 94' ' ' ALA . 2.0 mmtp -44.57 -48.53 10.31 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.257 -0.902 . . . . 0.0 109.494 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 mp -58.5 -55.77 30.8 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.173 -0.955 . . . . 0.0 109.645 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 56.6 mt -57.14 -23.05 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.295 -0.878 . . . . 0.0 109.774 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -67.96 -54.83 15.61 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.137 -0.977 . . . . 0.0 109.392 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -67.68 -35.83 79.56 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.204 -0.935 . . . . 0.0 109.455 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.561 HE22 ' HG ' ' A' ' 90' ' ' SER . 0.6 OUTLIER -60.18 -50.94 71.68 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.242 -0.911 . . . . 0.0 109.438 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.444 HG22 ' HH ' ' A' ' 115' ' ' TYR . 91.4 t -64.24 -44.42 97.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.325 -0.86 . . . . 0.0 109.617 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -56.47 -29.31 61.59 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.185 -0.947 . . . . 0.0 109.468 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -72.6 -46.84 52.28 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.238 -0.914 . . . . 0.0 109.54 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.7 mt -67.97 -38.82 83.21 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.186 -0.946 . . . . 0.0 109.506 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.3 t -66.75 -36.88 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.263 -0.898 . . . . 0.0 109.23 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -65.66 -59.14 4.23 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.22 -0.925 . . . . 0.0 109.29 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.44 ' CD1' ' OE2' ' A' ' 59' ' ' GLU . 1.6 tp -57.99 -35.91 71.89 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.286 -0.884 . . . . 0.0 109.142 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.06 -58.22 6.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.29 -0.881 . . . . 0.0 109.735 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.84 -19.41 62.56 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.213 -0.929 . . . . 0.0 109.782 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -82.11 -23.81 35.48 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.202 -0.936 . . . . 0.0 109.679 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.558 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 0.6 OUTLIER -99.31 -77.34 0.52 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.108 -0.995 . . . . 0.0 109.879 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.558 ' OD1' ' O ' ' A' ' 111' ' ' PHE . 3.2 m-20 162.49 36.9 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.104 -0.997 . . . . 0.0 109.55 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 16.7 pt -120.46 172.8 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.302 -0.874 . . . . 0.0 109.189 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.5 tt -112.89 135.01 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.158 -0.964 . . . . 0.0 109.519 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.641 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 20.4 t80 -106.93 89.61 3.05 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.198 -0.939 . . . . 0.0 109.412 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -146.2 78.19 1.51 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.24 -0.912 . . . . 0.0 109.55 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 170.48 62.66 0.04 OUTLIER Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.908 -1.277 . . . . 0.0 109.908 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.672 ' CE3' ' N ' ' A' ' 119' ' ' GLY . 2.3 p-90 -112.41 164.85 12.77 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.159 -1.201 . . . . 0.0 109.165 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.672 ' N ' ' CE3' ' A' ' 118' ' ' TRP . . . 168.5 159.61 14.52 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -116.18 166.11 12.4 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.36 -1.082 . . . . 0.0 109.372 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.439 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.5 OUTLIER -126.77 158.01 37.66 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.187 -0.945 . . . . 0.0 109.468 179.823 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.476 ' O ' ' C ' ' A' ' 123' ' ' GLU . 9.8 m-85 -65.07 77.43 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.218 -0.926 . . . . 0.0 109.681 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.561 ' O ' ' O ' ' A' ' 124' ' ' GLY . 20.2 tt0 40.12 55.51 2.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.229 -0.92 . . . . 0.0 109.671 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.561 ' O ' ' O ' ' A' ' 123' ' ' GLU . . . 57.41 136.95 0.01 OUTLIER Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 13.3 tp -174.53 120.53 0.24 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.26 -1.141 . . . . 0.0 109.472 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -142.56 79.12 1.64 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.243 -0.91 . . . . 0.0 109.501 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -174.7 68.77 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.32 -0.862 . . . . 0.0 109.229 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.82 -167.37 2.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.333 -0.854 . . . . 0.0 109.476 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.468 ' ND1' ' N ' ' A' ' 129' ' ' HIS . 0.5 OUTLIER -97.52 -155.69 0.5 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.311 -0.868 . . . . 0.0 109.381 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.603 ' CD2' ' O ' ' A' ' 130' ' ' HIS . 10.5 t-160 -167.07 -0.57 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.2 -0.938 . . . . 0.0 109.593 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -80.92 93.45 6.31 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.215 -0.928 . . . . 0.0 109.443 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 12.8 p-80 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 118.039 -0.982 . . . . 0.0 109.438 -179.893 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.577 ' O ' ' O ' ' A' ' 2' ' ' SER . 7.1 tpp . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.577 ' O ' ' O ' ' A' ' 1' ' ' MET . 0.7 OUTLIER -55.89 -147.0 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.294 -0.879 . . . . 0.0 109.53 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -103.12 138.44 39.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.168 -0.957 . . . . 0.0 109.482 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.479 ' C ' ' CG ' ' A' ' 5' ' ' ASP . 0.7 OUTLIER -102.95 -84.28 0.46 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.331 -0.856 . . . . 0.0 109.451 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.555 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 0.0 OUTLIER 175.23 -70.79 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.238 -0.913 . . . . 0.0 109.302 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.41 136.49 33.84 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.222 -0.924 . . . . 0.0 109.368 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -87.26 135.02 33.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.27 -0.894 . . . . 0.0 109.538 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 mt 59.63 166.57 0.06 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.277 -0.889 . . . . 0.0 109.669 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.576 ' O ' ' N ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -173.8 -73.94 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.32 -0.862 . . . . 0.0 109.315 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.462 ' C ' ' O ' ' A' ' 9' ' ' SER . 91.6 t -41.47 -27.42 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.265 -0.897 . . . . 0.0 109.424 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 9' ' ' SER . 5.9 tp10 -74.43 -30.59 61.96 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.257 -0.902 . . . . 0.0 109.408 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.576 ' N ' ' O ' ' A' ' 9' ' ' SER . 5.4 mm-40 -68.46 -43.6 76.65 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.321 -0.862 . . . . 0.0 109.386 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.0 mt -63.78 -62.14 1.84 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.39 -0.819 . . . . 0.0 109.552 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 27.8 mt -49.84 -51.83 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.241 -0.912 . . . . 0.0 109.771 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -44.54 -64.31 0.72 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.305 -0.872 . . . . 0.0 109.948 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.526 ' O ' ' C ' ' A' ' 17' ' ' GLN . 72.1 mt -59.72 -59.9 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.162 -0.961 . . . . 0.0 109.735 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.526 ' C ' ' O ' ' A' ' 16' ' ' ILE . 29.6 mt-30 -35.96 -35.28 0.06 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.187 -0.946 . . . . 0.0 109.571 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.5 ' O ' ' C ' ' A' ' 19' ' ' GLU . 62.9 mttt -72.24 -67.85 0.51 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.267 -0.896 . . . . 0.0 109.29 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.5 ' C ' ' O ' ' A' ' 18' ' ' LYS . 5.8 mt-10 -39.66 -35.77 0.35 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.225 -0.922 . . . . 0.0 109.187 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 23' ' ' ASP . 12.2 mm-40 -67.8 -64.96 0.75 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.363 -0.836 . . . . 0.0 109.314 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.507 ' C ' ' O ' ' A' ' 20' ' ' GLU . 32.0 m -37.56 -46.29 0.83 Allowed 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.255 -0.903 . . . . 0.0 109.208 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.689 ' CG ' HH11 ' A' ' 22' ' ' ARG . 0.7 OUTLIER -59.71 -40.31 87.55 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.248 -0.908 . . . . 0.0 109.362 179.823 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.556 ' N ' ' O ' ' A' ' 20' ' ' GLU . 22.4 t0 -61.07 -44.49 97.29 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.313 -0.867 . . . . 0.0 109.281 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 70.9 mt -67.13 -64.25 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.254 -0.904 . . . . 0.0 109.378 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.6 mp -46.28 -37.71 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.247 -0.908 . . . . 0.0 109.274 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.551 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -61.43 -42.9 99.47 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.284 -0.885 . . . . 0.0 109.38 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.16 -50.78 64.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.34 -0.85 . . . . 0.0 109.399 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.4 mt -54.16 -62.02 1.93 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.218 -0.926 . . . . 0.0 109.341 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -48.65 -50.01 34.88 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.152 -0.967 . . . . 0.0 109.017 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.562 ' O ' ' OE2' ' A' ' 30' ' ' GLU . 6.5 tp10 -51.61 -40.58 60.13 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.312 -0.868 . . . . 0.0 109.27 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.22 -48.49 81.26 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.295 -0.878 . . . . 0.0 109.441 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 131.5 14.7 1.7 Allowed Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.1 164.31 26.78 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.195 -1.18 . . . . 0.0 109.439 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.31 156.06 80.55 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.144 -0.972 . . . . 0.0 109.68 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -70.36 4.61 2.35 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.884 2.389 . . . . 0.0 111.966 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 36' ' ' ASP . 0.7 OUTLIER -92.03 -6.63 50.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.29 -0.881 . . . . 0.0 109.559 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -98.99 11.88 37.65 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.246 -0.909 . . . . 0.0 109.687 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.443 ' O ' ' CD1' ' A' ' 39' ' ' TYR . 3.8 mm? 54.43 171.6 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.123 -0.986 . . . . 0.0 109.542 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.573 ' CZ ' ' CD ' ' A' ' 123' ' ' GLU . 1.5 m-85 -154.28 150.61 28.19 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.204 -0.935 . . . . 0.0 109.412 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.605 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 4.6 mp0 -104.7 119.93 40.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.202 -0.936 . . . . 0.0 109.72 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.444 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 2.0 mp -106.27 128.08 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.337 -0.852 . . . . 0.0 109.139 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -116.76 135.54 53.67 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.121 -0.987 . . . . 0.0 109.875 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.444 ' ND1' ' HB2' ' A' ' 118' ' ' TRP . 90.3 m-70 -116.89 149.63 39.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.335 -0.853 . . . . 0.0 109.152 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 44.3 m170 -118.02 131.67 56.45 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.21 -0.931 . . . . 0.0 109.811 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.638 ' N ' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -141.66 132.65 26.05 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.289 -0.882 . . . . 0.0 109.365 179.761 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.74 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -125.45 163.58 22.34 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.206 -0.934 . . . . 0.0 109.475 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.12 166.61 29.27 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.259 -0.9 . . . . 0.0 109.573 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -103.63 -34.0 8.78 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.243 -0.911 . . . . 0.0 109.404 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.658 ' H ' ' HZ1' ' A' ' 52' ' ' LYS . 92.3 m-20 -99.53 109.73 22.24 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.352 -0.843 . . . . 0.0 109.318 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -50.31 -22.8 1.95 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.216 -0.928 . . . . 0.0 109.678 -179.81 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -60.04 -67.36 0.4 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.144 -0.972 . . . . 0.0 109.67 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.658 ' HZ1' ' H ' ' A' ' 49' ' ' ASP . 5.5 pttt -60.92 -32.56 72.04 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.256 -0.902 . . . . 0.0 109.814 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.3 tt -55.4 -43.95 75.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.301 -0.874 . . . . 0.0 109.79 -179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.09 -46.73 61.23 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.136 -0.978 . . . . 0.0 109.766 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 111' ' ' PHE . 7.4 mtpp -57.29 -43.26 83.02 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.217 -0.927 . . . . 0.0 109.829 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.39 -37.61 80.55 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.195 -0.941 . . . . 0.0 109.904 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.85 -49.28 68.73 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.133 -0.98 . . . . 0.0 109.67 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.5 t -53.69 -61.78 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.262 -0.899 . . . . 0.0 109.621 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -47.07 -45.14 21.61 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.284 -0.885 . . . . 0.0 109.66 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.411 ' HA ' ' SD ' ' A' ' 63' ' ' MET . . . -57.72 -45.22 86.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.175 -0.953 . . . . 0.0 109.497 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.422 ' C ' ' CD1' ' A' ' 61' ' ' PHE . 21.8 t80 -55.84 -41.31 74.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.239 -0.913 . . . . 0.0 109.55 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.6 tttm -74.78 -24.43 58.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.235 -0.916 . . . . 0.0 109.459 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.411 ' SD ' ' HA ' ' A' ' 60' ' ' ALA . 19.8 mtp -75.19 -42.86 54.78 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.265 -0.897 . . . . 0.0 109.494 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.69 ' O ' ' CG ' ' A' ' 65' ' ' PHE . . . 133.9 75.27 0.09 OUTLIER Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.69 ' CG ' ' O ' ' A' ' 64' ' ' GLY . 97.3 m-85 -164.23 108.37 0.96 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.235 -1.156 . . . . 0.0 109.527 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 87' ' ' THR . 2.7 mm-40 -58.03 85.11 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.149 -0.969 . . . . 0.0 109.194 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.509 ' N ' ' O ' ' A' ' 65' ' ' PHE . 2.1 p -60.91 140.2 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.27 -0.894 . . . . 0.0 109.967 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 tp -119.84 146.02 46.11 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.318 -0.864 . . . . 0.0 109.256 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.469 ' HG3' ' H ' ' A' ' 70' ' ' ALA . 6.5 tt0 -48.02 158.9 0.21 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.288 -0.883 . . . . 0.0 109.836 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.469 ' H ' ' HG3' ' A' ' 69' ' ' GLU . . . -100.48 169.67 8.92 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.392 -0.817 . . . . 0.0 109.385 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.543 ' O ' ' C ' ' A' ' 72' ' ' GLU . 4.5 tt0 -135.65 109.62 8.2 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.282 -0.886 . . . . 0.0 109.575 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.547 ' CD ' ' O ' ' A' ' 72' ' ' GLU . 1.4 pp20? -35.55 112.32 0.16 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.396 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.671 ' OG1' ' N ' ' A' ' 74' ' ' GLU . 0.7 OUTLIER -125.28 -133.52 0.26 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.173 -0.954 . . . . 0.0 109.529 -179.817 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.671 ' N ' ' OG1' ' A' ' 73' ' ' THR . 2.0 pt-20 -170.59 135.38 1.16 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.234 -0.916 . . . . 0.0 109.491 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 74' ' ' GLU . 2.8 m-20 -50.87 -95.76 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.239 -0.913 . . . . 0.0 109.375 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.493 ' O ' ' OD1' ' A' ' 77' ' ' ASP . 1.3 tt0 -141.66 26.61 1.91 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.174 -0.954 . . . . 0.0 109.451 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.493 ' OD1' ' O ' ' A' ' 76' ' ' GLU . 85.2 m-20 -137.19 -51.51 0.66 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.256 -0.902 . . . . 0.0 109.43 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 149.97 41.8 0.03 OUTLIER Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.97 159.37 15.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.198 -1.178 . . . . 0.0 109.399 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -104.18 103.06 12.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.121 -0.987 . . . . 0.0 109.55 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 pp -127.77 168.81 14.61 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.209 -0.932 . . . . 0.0 109.477 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 mp -101.76 137.89 39.46 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.249 -0.907 . . . . 0.0 109.638 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.456 ' H ' ' HB2' ' A' ' 70' ' ' ALA . 0.1 OUTLIER -135.68 99.89 4.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.319 -0.863 . . . . 0.0 109.563 -179.849 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.556 ' N ' ' CD1' ' A' ' 84' ' ' PHE . 2.0 p90 -91.53 159.55 15.87 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.069 -1.02 . . . . 0.0 109.179 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -111.07 168.38 9.54 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.169 -0.957 . . . . 0.0 109.983 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -142.47 115.18 8.62 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.427 -0.796 . . . . 0.0 109.301 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -98.8 153.52 18.7 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.276 -0.89 . . . . 0.0 109.461 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.4 tpt -156.88 103.4 2.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.255 -0.903 . . . . 0.0 109.424 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.35 120.41 15.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.257 -0.902 . . . . 0.0 109.281 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 91' ' ' ALA . 1.0 OUTLIER -155.2 155.02 33.15 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.186 -0.946 . . . . 0.0 109.603 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 90' ' ' SER . . . -53.32 -173.36 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.193 -0.942 . . . . 0.0 109.382 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.459 ' HB2' ' CD1' ' A' ' 39' ' ' TYR . 4.1 tp -113.02 110.13 19.98 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.284 -0.885 . . . . 0.0 109.53 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -159.36 122.94 3.74 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.236 -0.915 . . . . 0.0 109.463 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.8 -45.15 67.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.314 -0.866 . . . . 0.0 109.385 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.594 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.8 OUTLIER -57.06 -67.77 0.29 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.223 -0.923 . . . . 0.0 109.455 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 95' ' ' LYS . 0.2 OUTLIER -41.76 -50.36 4.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.206 -0.934 . . . . 0.0 109.374 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 45.6 mt -62.92 -20.58 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.333 -0.855 . . . . 0.0 109.545 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.594 ' N ' ' O ' ' A' ' 95' ' ' LYS . 33.0 t0 -72.92 -39.6 66.15 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.187 -0.946 . . . . 0.0 109.378 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.63 -45.76 28.7 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.256 -0.902 . . . . 0.0 109.266 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -54.25 -50.31 67.51 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.245 -0.909 . . . . 0.0 109.225 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.481 ' O ' ' C ' ' A' ' 102' ' ' GLU . 70.9 t -61.87 -58.82 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.322 -0.862 . . . . 0.0 109.121 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.587 ' OE2' ' ND2' ' A' ' 106' ' ' ASN . 1.5 tm-20 -41.06 -41.52 1.73 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.258 -0.901 . . . . 0.0 109.098 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -62.06 -43.32 99.09 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.276 -0.89 . . . . 0.0 109.262 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 101' ' ' VAL . 21.9 mt -64.16 -63.78 1.06 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.304 -0.872 . . . . 0.0 109.278 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.2 t -44.74 -36.85 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.31 -0.869 . . . . 0.0 109.501 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.587 ' ND2' ' OE2' ' A' ' 102' ' ' GLU . 11.3 m-80 -63.34 -51.15 67.14 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.247 -0.908 . . . . 0.0 109.461 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 110' ' ' LYS . 15.7 tp -66.14 -53.31 39.34 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.257 -0.902 . . . . 0.0 109.406 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 107' ' ' LEU . . . -44.98 -44.08 9.58 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.298 -0.876 . . . . 0.0 109.576 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -79.01 -16.86 56.31 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.301 -0.875 . . . . 0.0 109.562 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 107' ' ' LEU . 2.6 tmtm? -75.25 -26.79 59.14 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.293 -0.879 . . . . 0.0 109.768 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.473 ' O ' ' CG ' ' A' ' 112' ' ' ASP . 5.5 m-85 -100.44 -77.41 0.53 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.1 -1.0 . . . . 0.0 109.776 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.473 ' CG ' ' O ' ' A' ' 111' ' ' PHE . 0.9 OUTLIER 167.23 34.13 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.971 -1.08 . . . . 0.0 109.921 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.7 pt -118.28 167.92 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.052 -1.03 . . . . 0.0 109.519 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -112.78 101.14 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.321 -0.862 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.594 ' C ' ' CD1' ' A' ' 115' ' ' TYR . 0.2 OUTLIER -91.72 113.53 25.82 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.347 -0.846 . . . . 0.0 109.486 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.576 ' N ' ' OD1' ' A' ' 116' ' ' ASP . 12.2 p-10 -160.84 80.03 0.63 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.233 -0.917 . . . . 0.0 109.424 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 170.87 84.61 0.06 OUTLIER Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.444 ' HB2' ' ND1' ' A' ' 43' ' ' HIS . 8.8 p-90 -120.0 151.02 39.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.242 -1.152 . . . . 0.0 109.549 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -164.26 159.86 32.78 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.577 ' OG1' ' O ' ' A' ' 40' ' ' GLU . 2.3 t -133.47 167.33 20.63 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.128 -1.219 . . . . 0.0 109.586 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.524 ' N ' ' CD1' ' A' ' 121' ' ' TYR . 10.4 m-85 -109.73 158.27 18.28 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.241 -0.912 . . . . 0.0 109.432 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.682 ' CE2' ' O ' ' A' ' 123' ' ' GLU . 57.1 t80 -68.16 179.9 1.43 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.211 -0.931 . . . . 0.0 109.215 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.682 ' O ' ' CE2' ' A' ' 122' ' ' TYR . 1.6 mp0 -102.75 134.93 45.33 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.25 -0.906 . . . . 0.0 109.46 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 59.76 95.54 0.01 OUTLIER Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.431 -1.467 . . . . 0.0 109.431 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 125' ' ' LEU . 0.1 OUTLIER -126.17 100.43 6.32 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.223 -1.163 . . . . 0.0 109.558 -179.74 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -50.76 103.67 0.06 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.247 -0.908 . . . . 0.0 109.219 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -160.94 28.86 0.14 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.245 -0.909 . . . . 0.0 109.611 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.658 ' O ' ' ND1' ' A' ' 129' ' ' HIS . 3.9 t-80 -145.02 -163.54 1.73 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.257 -0.902 . . . . 0.0 109.439 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.658 ' ND1' ' O ' ' A' ' 128' ' ' HIS . 0.6 OUTLIER 41.21 63.62 1.18 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.086 -1.009 . . . . 0.0 109.282 -179.892 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -138.33 146.47 42.41 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.219 -0.926 . . . . 0.0 109.624 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.446 ' HB2' ' CE1' ' A' ' 132' ' ' HIS . 14.8 m80 -58.38 -80.37 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.322 -0.861 . . . . 0.0 109.419 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.659 ' N ' ' ND1' ' A' ' 132' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 118.053 -0.975 . . . . 0.0 109.43 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mmt . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.604 ' OG ' ' N ' ' A' ' 3' ' ' HIS . 12.4 t -96.29 -160.46 0.8 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.29 -0.881 . . . . 0.0 109.396 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.604 ' N ' ' OG ' ' A' ' 2' ' ' SER . 1.1 t60 -108.23 138.44 44.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.213 -0.929 . . . . 0.0 109.419 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.657 ' C ' ' H ' ' A' ' 6' ' ' ASP . 1.8 pt20 -157.44 -8.71 0.09 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.279 -0.888 . . . . 0.0 109.556 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' A' ' 6' ' ' ASP . 5.2 t70 -62.75 12.93 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.294 -0.879 . . . . 0.0 109.442 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.657 ' H ' ' C ' ' A' ' 4' ' ' GLN . 4.4 m-20 -143.79 -39.35 0.3 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.184 -0.947 . . . . 0.0 109.589 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -95.05 62.12 2.54 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.245 -0.909 . . . . 0.0 109.813 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.462 ' O ' ' OG ' ' A' ' 9' ' ' SER . 29.4 mt -66.28 -165.42 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.143 -0.973 . . . . 0.0 109.189 179.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.462 ' OG ' ' O ' ' A' ' 8' ' ' LEU . 73.3 m -168.62 86.78 0.19 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.198 -0.939 . . . . 0.0 109.468 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.2 m -51.74 -33.98 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.254 -0.904 . . . . 0.0 109.343 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -47.47 -37.98 12.81 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.366 -0.834 . . . . 0.0 109.708 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.51 ' O ' ' C ' ' A' ' 13' ' ' LEU . 2.7 mm-40 -74.83 -65.76 0.83 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.16 -0.963 . . . . 0.0 109.511 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.51 ' C ' ' O ' ' A' ' 12' ' ' GLU . 1.4 mt -37.25 -37.46 0.18 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.269 -0.894 . . . . 0.0 109.712 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.0 mt -68.9 -55.49 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.151 -0.968 . . . . 0.0 109.58 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.43 -53.87 39.62 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.24 -0.913 . . . . 0.0 109.492 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 67.3 mt -48.61 -58.91 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.25 -0.906 . . . . 0.0 109.788 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.457 ' O ' ' C ' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -51.14 -53.37 35.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.321 -0.862 . . . . 0.0 109.707 -179.614 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 17' ' ' GLN . 14.3 mtmt -40.66 -50.02 3.04 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.207 -0.933 . . . . 0.0 109.982 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -72.46 -49.98 29.45 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.224 -0.922 . . . . 0.0 110.006 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -49.75 -60.09 3.21 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.167 -0.958 . . . . 0.0 109.891 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.535 ' O ' ' N ' ' A' ' 24' ' ' ILE . 5.5 m -53.0 -60.43 3.29 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.233 -0.917 . . . . 0.0 109.656 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.532 ' C ' ' O ' ' A' ' 21' ' ' THR . 6.6 mmm180 -35.89 -45.99 0.44 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.154 -0.966 . . . . 0.0 109.528 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -61.49 -42.48 98.85 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.253 -0.904 . . . . 0.0 109.383 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.535 ' N ' ' O ' ' A' ' 21' ' ' THR . 27.8 mt -66.39 -66.92 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.293 -0.879 . . . . 0.0 109.566 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 12.2 mm -44.09 -33.3 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.152 -0.968 . . . . 0.0 109.488 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 14.6 mm-40 -69.19 -61.25 1.87 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.276 -0.89 . . . . 0.0 109.394 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.71 -49.61 19.2 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.282 -0.886 . . . . 0.0 109.447 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.523 ' O ' ' C ' ' A' ' 29' ' ' LEU . 5.0 mp -59.05 -70.82 0.14 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.23 -0.919 . . . . 0.0 109.442 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.523 ' C ' ' O ' ' A' ' 28' ' ' LEU . 15.1 mt -36.53 -53.35 0.87 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.256 -0.903 . . . . 0.0 109.523 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -53.35 -41.3 65.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.276 -0.89 . . . . 0.0 109.635 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 28' ' ' LEU . 2.1 t0 -56.56 -27.98 59.04 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.208 -0.932 . . . . 0.0 109.508 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.36 -1.8 16.26 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.8 t -72.98 114.44 11.13 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.307 -1.114 . . . . 0.0 109.42 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.82 153.21 39.48 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.199 -0.938 . . . . 0.0 109.418 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.498 ' C ' ' H ' ' A' ' 37' ' ' ALA . 19.6 Cg_endo -61.59 -21.07 71.12 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.837 2.358 . . . . 0.0 112.213 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -57.08 -5.22 0.24 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.307 -0.871 . . . . 0.0 109.461 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.498 ' H ' ' C ' ' A' ' 35' ' ' PRO . . . -109.7 14.92 23.13 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.282 -0.886 . . . . 0.0 109.345 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.487 ' O ' ' O ' ' A' ' 37' ' ' ALA . 3.1 mt 55.9 160.43 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.288 -0.882 . . . . 0.0 109.729 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.672 ' CZ ' ' OE2' ' A' ' 123' ' ' GLU . 1.4 m-85 -154.64 147.26 24.2 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.327 -0.858 . . . . 0.0 109.202 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -108.73 143.9 37.24 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.188 -0.945 . . . . 0.0 109.72 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.447 HG21 ' N ' ' A' ' 42' ' ' GLU . 4.6 mp -126.15 160.42 33.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.338 -0.851 . . . . 0.0 109.282 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.447 ' N ' HG21 ' A' ' 41' ' ' ILE . 85.9 tt0 -142.68 136.58 29.18 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.127 -0.983 . . . . 0.0 109.698 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -115.62 150.73 36.22 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.288 -0.883 . . . . 0.0 109.329 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -119.0 120.23 36.62 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.259 -0.901 . . . . 0.0 109.322 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.471 ' HB2' ' CE2' ' A' ' 84' ' ' PHE . 1.5 mp -128.3 140.38 51.91 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.2 -0.938 . . . . 0.0 109.629 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.578 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -130.88 155.15 47.23 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.275 -0.891 . . . . 0.0 109.503 179.805 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -135.42 179.14 6.51 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.324 -0.86 . . . . 0.0 109.475 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -121.21 -15.89 8.07 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.227 -0.92 . . . . 0.0 109.561 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.545 ' O ' ' C ' ' A' ' 50' ' ' PHE . 7.9 t0 -113.63 103.86 11.66 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.21 -0.931 . . . . 0.0 109.484 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.545 ' C ' ' O ' ' A' ' 49' ' ' ASP . 0.3 OUTLIER -35.07 -44.8 0.25 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.243 -0.911 . . . . 0.0 109.655 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.05 -52.92 62.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.236 -0.915 . . . . 0.0 109.694 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.472 ' NZ ' ' OD2' ' A' ' 112' ' ' ASP . 0.6 OUTLIER -64.44 -16.8 63.05 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.28 -0.888 . . . . 0.0 109.601 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.0 tt -80.02 -59.97 2.52 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.231 -0.918 . . . . 0.0 109.568 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -60.6 -18.97 56.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.202 -0.936 . . . . 0.0 109.547 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -80.75 -49.94 10.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.172 -0.955 . . . . 0.0 109.469 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.43 -31.99 70.68 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.172 -0.955 . . . . 0.0 109.255 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.92 -58.35 5.16 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.346 -0.847 . . . . 0.0 109.343 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.1 t -49.48 -55.04 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.317 -0.864 . . . . 0.0 109.174 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -46.89 -44.66 19.88 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.328 -0.857 . . . . 0.0 109.228 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.1 -34.86 72.5 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.31 -0.869 . . . . 0.0 109.304 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.76 -40.21 76.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.314 -0.866 . . . . 0.0 109.242 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -58.82 -35.92 73.67 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.24 -0.913 . . . . 0.0 109.489 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.59 -59.48 3.91 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.244 -0.91 . . . . 0.0 109.573 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 159.35 11.57 0.04 OUTLIER Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -92.14 137.42 32.38 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.261 -1.141 . . . . 0.0 109.35 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.04 84.11 7.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.211 -0.931 . . . . 0.0 109.343 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.4 p -51.62 150.05 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.349 -0.844 . . . . 0.0 109.64 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.636 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.6 OUTLIER -128.12 141.33 51.52 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.337 -0.852 . . . . 0.0 109.212 179.724 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 68' ' ' LEU . 2.1 tt0 -40.43 144.5 0.23 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.308 -0.87 . . . . 0.0 109.858 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.72 179.95 5.08 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.411 -0.806 . . . . 0.0 109.308 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 73' ' ' THR . 20.4 tt0 -152.56 117.62 5.17 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.269 -0.895 . . . . 0.0 109.499 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 71' ' ' GLU . 2.9 mt-10 -44.3 100.17 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.232 -0.918 . . . . 0.0 109.419 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.445 ' C ' ' OE1' ' A' ' 74' ' ' GLU . 11.1 t -109.68 -160.08 0.7 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.248 -0.907 . . . . 0.0 109.344 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.445 ' OE1' ' C ' ' A' ' 73' ' ' THR . 1.0 OUTLIER -137.09 142.93 42.35 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.158 -0.964 . . . . 0.0 109.613 -179.908 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.487 ' C ' ' H ' ' A' ' 77' ' ' ASP . 11.6 t0 -113.6 45.22 1.46 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.382 -0.824 . . . . 0.0 109.435 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 57.57 5.25 0.3 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.269 -0.895 . . . . 0.0 109.412 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' A' ' 75' ' ' ASP . 0.3 OUTLIER -111.71 -9.15 14.13 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.234 -0.916 . . . . 0.0 109.315 179.824 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 57.52 82.56 0.06 OUTLIER Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.486 ' O ' ' C ' ' A' ' 80' ' ' LYS . 1.1 m120 -151.74 10.98 0.57 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.239 -1.153 . . . . 0.0 109.621 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 79' ' ' ASN . 1.8 mptp? 39.89 77.48 0.05 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.18 -0.95 . . . . 0.0 109.375 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.4 166.53 10.69 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.22 -0.925 . . . . 0.0 109.675 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.451 HD11 ' N ' ' A' ' 82' ' ' LEU . 6.9 mp -105.26 127.76 53.1 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.245 -0.909 . . . . 0.0 109.227 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 9.9 t -126.33 113.2 16.61 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.313 -0.867 . . . . 0.0 110.012 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.658 ' N ' ' CD1' ' A' ' 84' ' ' PHE . 0.3 OUTLIER -96.63 154.42 17.29 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.244 -0.91 . . . . 0.0 108.779 179.31 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.636 ' O ' ' N ' ' A' ' 68' ' ' LEU . 1.2 m-20 -108.52 149.25 29.09 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.125 -0.984 . . . . 0.0 110.152 -179.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -130.8 129.24 42.15 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.475 -0.766 . . . . 0.0 109.008 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.29 155.67 21.76 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.107 -0.996 . . . . 0.0 109.985 -179.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.499 ' SD ' ' NE2' ' A' ' 100' ' ' GLN . 6.0 ttm -151.57 120.5 6.63 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.509 -0.745 . . . . 0.0 109.155 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.97 127.48 39.78 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.283 -0.886 . . . . 0.0 109.546 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.472 ' OG ' ' N ' ' A' ' 91' ' ' ALA . 1.8 t -164.41 177.42 8.22 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.283 -0.886 . . . . 0.0 109.357 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.472 ' N ' ' OG ' ' A' ' 90' ' ' SER . . . -72.01 176.15 5.31 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.224 -0.923 . . . . 0.0 109.565 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.4 ' H ' ' HB3' ' A' ' 35' ' ' PRO . 6.5 tp -95.65 103.47 15.35 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.242 -0.911 . . . . 0.0 109.504 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -148.21 138.47 22.69 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.201 -0.937 . . . . 0.0 109.461 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.69 -45.7 18.49 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.24 -0.913 . . . . 0.0 109.846 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -50.98 -51.38 53.34 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.141 -0.974 . . . . 0.0 109.558 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 tp -63.06 -52.41 62.87 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.199 -0.938 . . . . 0.0 109.456 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 43.7 mt -51.97 -29.61 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.269 -0.894 . . . . 0.0 109.467 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -69.79 -44.92 69.08 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.188 -0.945 . . . . 0.0 109.355 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -69.24 -40.33 77.96 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.197 -0.939 . . . . 0.0 109.255 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.499 ' NE2' ' SD ' ' A' ' 88' ' ' MET . 13.0 mm100 -61.59 -52.26 65.12 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.33 -0.857 . . . . 0.0 109.281 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 47.6 t -59.42 -49.25 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.301 -0.874 . . . . 0.0 109.231 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -57.45 -25.32 59.5 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.308 -0.87 . . . . 0.0 109.081 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.97 -52.3 17.8 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.361 -0.837 . . . . 0.0 109.308 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 28.5 mt -66.65 -29.84 69.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.307 -0.871 . . . . 0.0 109.457 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.86 -52.99 47.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.239 -0.913 . . . . 0.0 109.533 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -59.27 -40.56 86.46 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.174 -0.954 . . . . 0.0 109.539 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.67 -39.77 88.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.213 -0.93 . . . . 0.0 109.471 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.91 -63.52 1.27 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.261 -0.899 . . . . 0.0 109.432 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -59.27 -30.77 68.54 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.272 -0.892 . . . . 0.0 109.345 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -59.99 -33.22 71.68 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.23 -0.919 . . . . 0.0 109.528 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.489 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 10.2 m-85 -93.86 -76.84 0.47 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.222 -0.924 . . . . 0.0 109.594 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.5 OUTLIER 165.39 37.71 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.184 -0.948 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.8 pt -123.43 -179.9 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.331 -0.855 . . . . 0.0 109.521 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.472 HD13 ' N ' ' A' ' 115' ' ' TYR . 0.1 OUTLIER -123.09 120.78 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.295 -0.878 . . . . 0.0 109.556 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.491 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 4.4 t80 -101.08 109.55 21.46 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.288 -0.882 . . . . 0.0 109.334 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -160.58 86.65 0.73 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.255 -0.903 . . . . 0.0 109.545 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 160.69 79.51 0.03 OUTLIER Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.469 ' CE3' ' N ' ' A' ' 119' ' ' GLY . 5.6 p-90 -123.67 158.51 31.41 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.272 -1.134 . . . . 0.0 109.581 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.469 ' N ' ' CE3' ' A' ' 118' ' ' TRP . . . -176.25 177.55 47.79 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.04 157.99 43.95 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.114 -1.227 . . . . 0.0 109.541 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -93.01 131.0 38.39 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.235 -0.916 . . . . 0.0 109.566 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.628 ' CD1' ' N ' ' A' ' 123' ' ' GLU . 4.1 t80 -80.95 146.8 30.56 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.311 -0.868 . . . . 0.0 109.391 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.672 ' OE2' ' CZ ' ' A' ' 39' ' ' TYR . 2.2 mt-10 -68.32 -175.88 0.68 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.256 -0.902 . . . . 0.0 109.551 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 82.96 36.14 16.34 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.86 91.02 4.41 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.217 -1.166 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -59.49 127.18 30.78 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.228 -0.92 . . . . 0.0 109.679 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -91.5 -122.86 0.07 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.292 -0.88 . . . . 0.0 109.385 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 54.17 35.27 22.09 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.128 -0.982 . . . . 0.0 109.479 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 53.3 m-70 -68.84 -10.08 54.92 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.305 -0.872 . . . . 0.0 109.453 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 24.4 m80 -73.79 175.79 6.92 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.233 -0.917 . . . . 0.0 109.51 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -135.01 -42.67 0.73 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.259 -0.901 . . . . 0.0 109.487 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.565 ' OXT' ' CG ' ' A' ' 132' ' ' HIS . 16.9 p80 . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 118.001 -1.0 . . . . 0.0 109.478 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.401 ' C ' ' OG ' ' A' ' 2' ' ' SER . 1.2 mpp? . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.401 ' OG ' ' C ' ' A' ' 1' ' ' MET . 0.1 OUTLIER 49.43 33.94 6.12 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.254 -0.904 . . . . 0.0 109.404 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.47 -16.53 24.64 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.23 -0.919 . . . . 0.0 109.471 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 5' ' ' ASP . 19.4 mm-40 -64.99 -175.15 0.18 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.203 -0.936 . . . . 0.0 109.468 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 4' ' ' GLN . 74.6 m-20 43.78 -112.19 0.24 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.216 -0.928 . . . . 0.0 109.675 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.547 ' O ' ' C ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER 50.89 79.94 0.08 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.189 -0.944 . . . . 0.0 109.481 -179.823 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.547 ' C ' ' O ' ' A' ' 6' ' ' ASP . 0.0 OUTLIER -34.32 139.09 0.08 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.315 -0.865 . . . . 0.0 109.678 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.39 25.27 0.53 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.309 -0.87 . . . . 0.0 109.486 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m -141.62 -62.81 0.46 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.185 -0.947 . . . . 0.0 109.495 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.4 p -52.84 -28.0 13.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.317 -0.865 . . . . 0.0 109.303 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -82.57 -28.43 30.92 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.322 -0.861 . . . . 0.0 109.448 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -67.19 -46.97 72.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.227 -0.921 . . . . 0.0 109.641 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 mt -65.0 -23.98 67.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.288 -0.882 . . . . 0.0 109.813 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.8 mt -72.45 -46.73 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.18 -0.95 . . . . 0.0 109.659 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -62.32 -54.32 42.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.114 -0.991 . . . . 0.0 109.463 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.528 ' O ' ' C ' ' A' ' 17' ' ' GLN . 36.6 mt -59.69 -62.21 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.52 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.528 ' C ' ' O ' ' A' ' 16' ' ' ILE . 5.4 tp60 -35.86 -47.79 0.53 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.268 -0.895 . . . . 0.0 109.324 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.604 ' NZ ' ' OD2' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -53.32 -57.75 9.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.304 -0.873 . . . . 0.0 109.181 179.702 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -48.82 -43.37 38.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.267 -0.896 . . . . 0.0 109.139 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -59.06 -53.31 59.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.257 -0.902 . . . . 0.0 109.343 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -55.56 -63.08 1.28 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.301 -0.874 . . . . 0.0 109.725 -179.866 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' THR . 15.9 mtm180 -42.89 -38.65 2.26 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.249 -0.907 . . . . 0.0 109.772 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -60.84 -49.34 77.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.236 -0.915 . . . . 0.0 109.797 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' A' ' 25' ' ' ILE . 41.9 mt -65.76 -59.64 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.233 -0.917 . . . . 0.0 109.736 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 24' ' ' ILE . 11.0 mm -43.63 -29.07 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.199 -0.938 . . . . 0.0 109.685 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -77.71 -52.27 9.23 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.188 -0.945 . . . . 0.0 109.587 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.47 -33.14 72.15 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.266 -0.896 . . . . 0.0 109.445 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.9 mt -68.66 -45.28 72.17 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.264 -0.897 . . . . 0.0 109.496 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -67.95 -53.21 27.97 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.215 -0.928 . . . . 0.0 109.321 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -48.33 -44.35 34.06 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.307 -0.87 . . . . 0.0 109.391 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.17 -34.98 59.22 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.27 -0.894 . . . . 0.0 109.454 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.34 21.25 7.01 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.386 -1.486 . . . . 0.0 109.386 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 95.0 p -48.66 167.42 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.346 -1.091 . . . . 0.0 109.658 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.74 77.14 74.45 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.331 -0.856 . . . . 0.0 109.323 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -53.74 -22.39 22.95 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.901 2.401 . . . . 0.0 112.278 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -49.86 -16.8 0.29 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.237 -0.914 . . . . 0.0 109.641 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -91.21 -102.72 0.1 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.168 -0.957 . . . . 0.0 109.52 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.7 tp -155.72 162.65 40.51 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.312 -0.867 . . . . 0.0 109.384 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -141.32 138.31 33.04 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.243 -0.91 . . . . 0.0 109.579 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -108.82 142.41 39.44 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.311 -0.868 . . . . 0.0 109.522 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.531 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 3.4 mp -125.49 156.77 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.375 -0.828 . . . . 0.0 109.203 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.474 ' H ' HG23 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -140.11 135.05 32.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.101 -0.999 . . . . 0.0 109.654 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.46 ' CE1' HG21 ' A' ' 41' ' ' ILE . 29.5 m-70 -119.93 135.29 54.96 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.345 -0.847 . . . . 0.0 109.11 179.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -105.55 137.28 43.65 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.23 -0.919 . . . . 0.0 109.804 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.589 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 2.6 mp -141.66 126.96 18.64 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.413 -0.804 . . . . 0.0 109.2 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.794 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -108.63 159.69 16.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.209 -0.932 . . . . 0.0 109.504 -179.842 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.97 165.6 25.6 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.275 -0.891 . . . . 0.0 109.588 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -105.12 -23.34 12.94 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.199 -0.938 . . . . 0.0 109.33 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.673 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -114.94 116.47 28.56 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.297 -0.877 . . . . 0.0 109.276 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.439 ' C ' ' O ' ' A' ' 49' ' ' ASP . 2.1 p90 -43.68 -38.29 3.04 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.174 -0.954 . . . . 0.0 109.368 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -62.81 -72.51 0.13 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.228 -0.92 . . . . 0.0 109.267 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.507 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -37.21 -33.57 0.06 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.296 -0.877 . . . . 0.0 109.352 179.827 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 51' ' ' ASP . 4.6 tt -64.66 -42.22 95.55 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.32 -0.863 . . . . 0.0 109.407 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 51' ' ' ASP . 6.8 tt0 -69.37 -25.9 64.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.306 -0.871 . . . . 0.0 109.822 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.07 -63.74 1.35 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.165 -0.96 . . . . 0.0 109.965 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.05 -29.2 43.07 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.214 -0.929 . . . . 0.0 109.79 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.96 -46.09 46.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.185 -0.947 . . . . 0.0 109.697 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.4 t -59.5 -28.7 40.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.247 -0.908 . . . . 0.0 109.634 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -72.55 -54.75 8.3 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.248 -0.908 . . . . 0.0 109.688 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.26 -42.98 70.56 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.233 -0.917 . . . . 0.0 109.624 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -61.07 -40.63 94.42 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.183 -0.948 . . . . 0.0 109.554 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -63.91 -26.24 68.51 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.196 -0.94 . . . . 0.0 109.51 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 13.7 mtm -78.38 -29.63 47.45 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.2 -0.938 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.26 -16.22 4.15 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -60.72 133.76 56.42 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.289 -1.124 . . . . 0.0 109.433 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.32 80.3 9.2 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.211 -0.931 . . . . 0.0 109.216 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 p -54.38 133.22 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.276 -0.89 . . . . 0.0 109.561 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.547 ' O ' ' O ' ' A' ' 69' ' ' GLU . 1.1 tt -114.0 138.42 50.39 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.273 -0.892 . . . . 0.0 109.286 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.547 ' O ' ' O ' ' A' ' 68' ' ' LEU . 3.6 mp0 -38.45 162.17 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.214 -0.928 . . . . 0.0 109.586 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.63 179.11 4.37 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.267 -0.895 . . . . 0.0 109.645 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.552 ' O ' ' C ' ' A' ' 72' ' ' GLU . 16.1 tt0 -147.55 103.5 3.54 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.364 -0.835 . . . . 0.0 109.236 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.552 ' C ' ' O ' ' A' ' 71' ' ' GLU . 58.1 mt-10 -33.75 110.6 0.09 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.385 -0.822 . . . . 0.0 109.736 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.7 t -119.34 -161.44 0.86 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.262 -0.899 . . . . 0.0 109.434 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.449 ' O ' ' O ' ' A' ' 75' ' ' ASP . 17.4 mt-10 -123.15 138.75 54.58 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.295 -0.878 . . . . 0.0 109.328 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.449 ' O ' ' O ' ' A' ' 74' ' ' GLU . 3.9 t70 -61.54 -132.52 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.292 -0.88 . . . . 0.0 109.428 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -107.65 -15.11 14.66 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.265 -0.897 . . . . 0.0 109.396 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -105.84 -23.4 12.71 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.219 -0.926 . . . . 0.0 109.284 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.411 ' O ' ' ND2' ' A' ' 79' ' ' ASN . . . 119.78 86.29 0.98 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 78' ' ' GLY . 2.2 m-80 -146.01 -160.58 1.17 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.23 -1.159 . . . . 0.0 109.476 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -135.68 113.9 11.44 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.192 -0.943 . . . . 0.0 109.383 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.03 158.94 43.29 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.262 -0.899 . . . . 0.0 109.52 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.422 ' N ' HD12 ' A' ' 82' ' ' LEU . 6.7 mp -88.58 127.59 35.56 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.322 -0.861 . . . . 0.0 109.125 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.524 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 28.5 p -124.54 106.01 9.82 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.268 -0.895 . . . . 0.0 109.899 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.589 ' CE1' ' O ' ' A' ' 45' ' ' LEU . 13.2 p90 -97.42 156.48 16.45 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.116 -0.99 . . . . 0.0 108.827 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -126.64 168.01 14.91 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.033 -1.042 . . . . 0.0 110.049 -179.485 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -142.05 152.22 43.15 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.436 -0.79 . . . . 0.0 109.063 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.2 p -130.84 156.96 44.13 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.189 -0.944 . . . . 0.0 109.706 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 15.2 ttm -153.56 116.8 4.59 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.321 -0.862 . . . . 0.0 109.549 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.686 ' NE2' ' N ' ' A' ' 89' ' ' GLN . 0.6 OUTLIER -85.74 133.19 34.01 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.203 -0.936 . . . . 0.0 109.272 179.744 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.7 p -166.16 -172.5 2.29 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.211 -0.931 . . . . 0.0 109.543 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.503 ' O ' ' C ' ' A' ' 92' ' ' LEU . . . -93.33 120.42 33.59 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.353 -0.842 . . . . 0.0 109.542 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.521 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 29.3 tp -37.68 134.2 0.72 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.22 -0.925 . . . . 0.0 109.498 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.521 ' CG ' ' O ' ' A' ' 92' ' ' LEU . 4.7 m-20 -178.67 113.18 0.06 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.219 -0.926 . . . . 0.0 109.367 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -46.42 -69.06 0.14 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.245 -0.91 . . . . 0.0 109.625 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' A' ' 94' ' ' ALA . 9.0 mtmt -39.88 -48.15 2.26 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.258 -0.901 . . . . 0.0 109.916 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.428 HD22 HE21 ' A' ' 100' ' ' GLN . 1.1 tt -58.89 -54.88 42.12 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.118 -0.989 . . . . 0.0 109.729 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 33.4 mt -57.8 -30.21 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.16 -0.962 . . . . 0.0 109.622 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.604 ' OD2' ' NZ ' ' A' ' 18' ' ' LYS . 1.8 m-20 -63.2 -41.61 99.2 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.215 -0.928 . . . . 0.0 109.384 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -65.15 -40.82 94.9 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.298 -0.876 . . . . 0.0 109.232 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.428 HE21 HD22 ' A' ' 96' ' ' LEU . 45.6 mm-40 -64.29 -49.11 73.1 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.266 -0.896 . . . . 0.0 109.611 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 59.6 t -65.87 -60.62 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.203 -0.935 . . . . 0.0 109.525 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 106' ' ' ASN . 35.0 tt0 -45.48 -31.82 1.92 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.203 -0.936 . . . . 0.0 109.497 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -72.7 -61.04 1.95 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.193 -0.942 . . . . 0.0 109.486 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 14.6 mt -56.63 -15.61 4.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.204 -0.935 . . . . 0.0 109.445 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 92.3 t -83.9 -68.39 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.361 -0.837 . . . . 0.0 109.486 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.534 ' N ' ' ND2' ' A' ' 106' ' ' ASN . 0.3 OUTLIER -50.76 -37.78 44.08 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.28 -0.888 . . . . 0.0 109.466 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.4 tt -72.45 -39.82 67.5 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.254 -0.904 . . . . 0.0 109.468 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.29 -54.61 33.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.24 -0.913 . . . . 0.0 109.601 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -70.75 -34.14 71.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.282 -0.886 . . . . 0.0 109.45 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -58.89 -22.33 59.23 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.217 -0.927 . . . . 0.0 109.2 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.503 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 7.4 m-85 -100.59 -76.73 0.55 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.281 -0.887 . . . . 0.0 109.044 179.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.6 OUTLIER 163.75 33.89 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.381 -0.824 . . . . 0.0 109.542 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 8.8 pt -120.06 178.47 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.158 -0.964 . . . . 0.0 109.552 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -120.37 110.62 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.262 -0.898 . . . . 0.0 109.517 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.483 ' C ' ' CD1' ' A' ' 115' ' ' TYR . 5.1 t80 -87.38 125.89 34.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.251 -0.906 . . . . 0.0 109.419 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -176.9 81.59 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.205 -0.934 . . . . 0.0 109.358 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 160.11 80.99 0.04 OUTLIER Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 3.6 p-90 -122.65 147.0 46.95 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.208 -1.172 . . . . 0.0 109.43 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -162.41 172.37 38.49 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -137.49 177.01 8.19 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.224 -1.163 . . . . 0.0 109.384 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.46 ' N ' ' OG1' ' A' ' 120' ' ' THR . 6.9 t80 -119.85 125.19 47.91 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.351 -0.843 . . . . 0.0 109.561 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.447 ' CZ ' ' O ' ' A' ' 123' ' ' GLU . 25.3 t80 -70.39 140.62 52.14 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.224 -0.922 . . . . 0.0 109.38 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.447 ' O ' ' CZ ' ' A' ' 122' ' ' TYR . 3.0 tt0 -122.32 177.1 5.52 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.252 -0.905 . . . . 0.0 109.521 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 121.08 -27.14 6.51 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.94 120.48 20.53 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.176 -1.191 . . . . 0.0 109.497 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -65.34 -49.35 69.75 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.191 -0.943 . . . . 0.0 109.435 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 61.0 54.44 3.39 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.251 -0.906 . . . . 0.0 109.615 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -159.93 -41.6 0.05 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.305 -0.872 . . . . 0.0 109.177 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -115.56 -162.47 0.83 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.286 -0.884 . . . . 0.0 109.249 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 59.9 103.05 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.298 -0.876 . . . . 0.0 109.354 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.7 ' CG ' ' H ' ' A' ' 132' ' ' HIS . 2.4 p-80 -126.71 -63.87 1.05 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.233 -0.917 . . . . 0.0 109.553 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.7 ' H ' ' CG ' ' A' ' 131' ' ' HIS . 6.1 t60 . . . . . 0 N--CA 1.489 1.478 0 CA-C-O 118.075 -0.964 . . . . 0.0 109.497 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 ttm . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.222 0.534 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -124.5 -21.64 4.84 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.221 -0.924 . . . . 0.0 109.522 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.661 ' ND1' ' OE1' ' A' ' 4' ' ' GLN . 1.5 t-80 -103.02 126.71 50.31 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.195 -0.941 . . . . 0.0 109.699 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.661 ' OE1' ' ND1' ' A' ' 3' ' ' HIS . 5.1 mm100 59.37 71.23 0.59 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.259 -0.9 . . . . 0.0 109.518 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -143.65 125.34 15.02 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.294 -0.879 . . . . 0.0 109.473 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' A' ' 7' ' ' TYR . 4.5 p30 -134.99 -79.77 0.44 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.249 -0.907 . . . . 0.0 109.358 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.535 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 77.8 m-85 -144.86 173.84 11.51 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.285 -0.884 . . . . 0.0 109.35 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 44.6 mt -119.79 97.25 5.54 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.202 -0.937 . . . . 0.0 109.533 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 12' ' ' GLU . 0.3 OUTLIER -153.8 -67.74 0.14 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.206 -0.934 . . . . 0.0 109.53 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 9' ' ' SER . 40.1 t -42.37 -31.95 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.155 -0.966 . . . . 0.0 109.605 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.534 ' CD ' ' OE2' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -76.84 -30.28 56.26 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.199 -0.938 . . . . 0.0 109.646 -179.876 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.534 ' OE2' ' CD ' ' A' ' 11' ' ' GLU . 23.4 mm-40 -66.4 -48.18 70.92 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.185 -0.947 . . . . 0.0 109.493 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.4 mt -56.67 -33.91 66.86 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.217 -0.927 . . . . 0.0 109.494 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.7 mt -65.72 -51.26 64.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.305 -0.872 . . . . 0.0 109.501 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -63.03 1.27 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.224 -0.923 . . . . 0.0 109.401 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.414 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.4 mp -53.86 -45.64 63.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.296 -0.878 . . . . 0.0 109.477 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.477 ' OE1' ' OG1' ' A' ' 21' ' ' THR . 5.1 tp-100 -58.91 -18.84 36.95 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.367 -0.833 . . . . 0.0 109.662 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -83.57 -60.38 2.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.202 -0.936 . . . . 0.0 109.683 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -48.8 -36.21 16.18 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.076 -1.015 . . . . 0.0 109.293 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -70.07 -51.69 29.9 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.322 -0.861 . . . . 0.0 109.509 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.477 ' OG1' ' OE1' ' A' ' 17' ' ' GLN . 9.1 m -55.3 -31.83 61.94 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.269 -0.895 . . . . 0.0 109.593 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -67.55 -48.15 67.77 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.074 -1.017 . . . . 0.0 109.562 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.22 -49.53 76.77 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.233 -0.917 . . . . 0.0 109.794 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.6 mt -58.53 -57.69 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.194 -0.942 . . . . 0.0 109.719 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.461 ' N ' HD13 ' A' ' 25' ' ' ILE . 1.1 mp -45.99 -59.18 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.284 -0.885 . . . . 0.0 109.53 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -47.25 -40.33 16.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.196 -0.94 . . . . 0.0 109.652 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.508 ' O ' ' C ' ' A' ' 28' ' ' LEU . . . -68.41 -66.28 0.59 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.219 -0.925 . . . . 0.0 109.632 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.508 ' C ' ' O ' ' A' ' 27' ' ' ALA . 79.9 mt -38.02 -39.62 0.41 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.211 -0.931 . . . . 0.0 109.58 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.608 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -66.05 -63.31 1.11 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.227 -0.92 . . . . 0.0 109.491 -179.86 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.509 ' OE1' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -42.33 -30.85 0.35 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.172 -0.955 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.464 ' OD2' ' CE1' ' A' ' 122' ' ' TYR . 3.8 t70 -70.26 -18.14 63.13 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.258 -0.901 . . . . 0.0 109.287 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.608 ' N ' ' O ' ' A' ' 29' ' ' LEU . . . 85.87 33.87 14.51 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.2 p -60.97 -25.37 66.8 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.301 -1.117 . . . . 0.0 109.49 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.548 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER 57.85 88.4 0.12 Allowed Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.289 -0.882 . . . . 0.0 109.617 179.852 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -59.23 -1.33 0.87 Allowed 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.785 2.323 . . . . 0.0 111.971 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.43 ' H ' ' C ' ' A' ' 34' ' ' ASP . 0.3 OUTLIER -65.71 -28.94 69.43 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.313 -0.867 . . . . 0.0 109.605 -179.82 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.438 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -85.44 23.95 1.26 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.227 -0.921 . . . . 0.0 109.183 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.502 ' O ' ' OE2' ' A' ' 123' ' ' GLU . 10.3 mt 56.99 164.17 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.278 -0.889 . . . . 0.0 109.164 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.465 ' CZ ' HD12 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -129.6 154.92 46.61 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.255 -0.903 . . . . 0.0 109.53 -179.845 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -106.2 122.63 46.61 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.304 -0.872 . . . . 0.0 109.484 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mm -99.5 143.1 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.193 -0.942 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -133.18 139.46 47.05 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.267 -0.896 . . . . 0.0 109.691 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -131.83 159.28 38.99 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.322 -0.862 . . . . 0.0 109.239 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.671 ' NE2' ' OD2' ' A' ' 85' ' ' ASP . 0.1 OUTLIER -134.72 122.01 21.57 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.198 -0.939 . . . . 0.0 109.689 -179.842 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.454 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 5.2 mp -128.07 151.09 49.6 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.272 -0.893 . . . . 0.0 109.301 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.586 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -132.26 161.11 34.27 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.164 -0.96 . . . . 0.0 109.806 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.02 164.3 34.23 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.458 -0.776 . . . . 0.0 109.411 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -111.63 -1.73 15.64 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.271 -0.893 . . . . 0.0 109.461 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -117.64 124.75 49.35 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.25 -0.906 . . . . 0.0 109.712 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -64.21 -27.42 69.05 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.151 -0.968 . . . . 0.0 109.278 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.7 -55.17 6.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.261 -0.9 . . . . 0.0 109.365 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.0 -31.19 72.27 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.267 -0.895 . . . . 0.0 109.368 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.5 tt -64.84 -42.64 94.75 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.285 -0.884 . . . . 0.0 109.566 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.34 -21.29 59.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.23 -0.919 . . . . 0.0 109.856 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -82.32 -59.69 2.46 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.09 -1.006 . . . . 0.0 109.56 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.17 -34.64 68.66 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.203 -0.936 . . . . 0.0 109.796 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.01 -47.96 40.49 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.251 -0.906 . . . . 0.0 109.743 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.5 t -54.33 -44.96 68.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.2 -0.937 . . . . 0.0 109.845 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -68.21 -39.62 82.34 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.108 -0.995 . . . . 0.0 109.737 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.99 -47.04 61.54 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.223 -0.923 . . . . 0.0 109.69 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.533 ' O ' ' C ' ' A' ' 62' ' ' LYS . 15.5 t80 -68.14 -59.89 2.89 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.221 -0.925 . . . . 0.0 109.671 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.533 ' C ' ' O ' ' A' ' 61' ' ' PHE . 9.1 tttm -36.76 -34.77 0.08 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.178 -0.951 . . . . 0.0 109.532 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.478 ' N ' ' O ' ' A' ' 61' ' ' PHE . 8.8 mtm -70.11 -55.75 8.65 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.189 -0.944 . . . . 0.0 109.504 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 161.49 -24.32 0.24 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.401 ' CZ ' ' NE2' ' A' ' 100' ' ' GLN . 78.1 m-85 -60.03 122.15 13.63 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.271 -1.135 . . . . 0.0 109.325 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.75 86.4 0.67 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.197 -0.939 . . . . 0.0 109.186 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -59.65 145.91 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.307 -0.871 . . . . 0.0 109.741 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.629 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -124.37 135.67 53.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.271 -0.893 . . . . 0.0 109.332 179.865 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 68' ' ' LEU . 1.1 mm-40 -41.46 153.79 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.279 -0.888 . . . . 0.0 109.684 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.421 ' HB3' ' CA ' ' A' ' 84' ' ' PHE . . . -105.42 159.04 16.23 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.331 -0.855 . . . . 0.0 109.588 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -119.82 179.83 4.13 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.31 -0.868 . . . . 0.0 109.171 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -91.39 117.63 29.84 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.187 -0.946 . . . . 0.0 109.686 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.58 ' HG1' ' H ' ' A' ' 74' ' ' GLU . 3.5 t -150.61 -162.31 1.52 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.255 -0.903 . . . . 0.0 109.341 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.58 ' H ' ' HG1' ' A' ' 73' ' ' THR . 23.5 pt-20 -155.6 -172.71 4.24 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.235 -0.916 . . . . 0.0 109.645 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.624 ' OD1' ' N ' ' A' ' 76' ' ' GLU . 1.5 p30 -142.72 -88.42 0.14 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.295 -0.878 . . . . 0.0 109.514 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.624 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 3.7 mt-10 -151.94 20.41 0.68 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.261 -0.899 . . . . 0.0 109.519 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.9 2.98 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.268 -0.895 . . . . 0.0 109.519 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.557 ' C ' ' H ' ' A' ' 80' ' ' LYS . . . -104.03 -50.49 1.0 Allowed Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.1 t30 63.28 -4.92 0.26 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.321 -1.105 . . . . 0.0 109.641 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.557 ' H ' ' C ' ' A' ' 78' ' ' GLY . 4.9 tttt -176.92 98.79 0.05 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.232 -0.917 . . . . 0.0 109.563 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.489 ' C ' ' CD1' ' A' ' 81' ' ' LEU . 1.9 pp -157.62 172.48 18.46 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.184 -0.948 . . . . 0.0 109.465 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.4 mp -112.33 141.91 45.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.18 -0.95 . . . . 0.0 109.449 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.453 ' HG ' HG21 ' A' ' 73' ' ' THR . 26.6 p -134.53 115.95 14.5 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.297 -0.877 . . . . 0.0 109.996 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.69 ' N ' ' CD1' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -97.08 160.23 14.46 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.26 -0.9 . . . . 0.0 109.035 179.516 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.671 ' OD2' ' NE2' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -114.17 147.06 39.49 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.212 -0.93 . . . . 0.0 109.792 -179.595 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -120.49 140.14 51.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.31 -0.869 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.3 147.84 50.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.2 -0.938 . . . . 0.0 109.651 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.7 tpp -160.68 126.62 3.97 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.356 -0.84 . . . . 0.0 109.193 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.639 ' N ' ' OE1' ' A' ' 89' ' ' GLN . 6.6 mp0 -79.31 123.53 27.55 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.199 -0.938 . . . . 0.0 109.639 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.6 p -140.53 -172.32 3.41 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.386 -0.821 . . . . 0.0 109.298 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -100.71 137.71 38.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.193 -0.942 . . . . 0.0 109.501 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.465 HD12 ' CZ ' ' A' ' 39' ' ' TYR . 2.3 tp -57.82 103.72 0.15 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.148 -0.97 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -164.63 140.18 5.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.193 -0.942 . . . . 0.0 109.416 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.513 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -66.17 -71.69 0.19 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.199 -0.938 . . . . 0.0 109.347 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.513 ' C ' ' O ' ' A' ' 94' ' ' ALA . 23.6 mtpp -35.54 -45.9 0.38 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.285 -0.884 . . . . 0.0 109.518 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.03 -54.72 43.88 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.218 -0.926 . . . . 0.0 109.37 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 6.9 mt -56.07 -28.62 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.195 -0.94 . . . . 0.0 109.31 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -64.5 -44.0 92.31 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.279 -0.888 . . . . 0.0 109.185 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.8 -51.41 69.46 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.254 -0.904 . . . . 0.0 109.404 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.401 ' NE2' ' CZ ' ' A' ' 65' ' ' PHE . 23.2 mm100 -58.6 -56.94 15.72 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.162 -0.961 . . . . 0.0 109.419 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.43 HG12 ' CE2' ' A' ' 115' ' ' TYR . 87.1 t -53.48 -24.2 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.313 -0.867 . . . . 0.0 109.251 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.01 -46.8 41.28 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.194 -0.941 . . . . 0.0 109.263 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.401 ' HE2' ' SD ' ' A' ' 63' ' ' MET . 15.9 tptt -63.22 -43.65 97.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.299 -0.876 . . . . 0.0 109.564 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.07 -30.36 70.39 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.266 -0.896 . . . . 0.0 109.708 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.0 t -75.96 -50.09 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.164 -0.96 . . . . 0.0 109.625 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.36 -48.97 75.72 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.186 -0.946 . . . . 0.0 109.714 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.3 tp -62.54 -45.88 90.95 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.225 -0.922 . . . . 0.0 109.693 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.37 -60.13 3.84 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.33 -0.856 . . . . 0.0 109.976 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.97 -19.83 65.44 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.261 -0.899 . . . . 0.0 109.993 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.9 tptt -71.87 -29.76 64.7 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.101 -0.999 . . . . 0.0 109.595 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.516 ' O ' ' CG ' ' A' ' 112' ' ' ASP . 27.1 m-85 -97.32 -77.12 0.5 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.184 -0.947 . . . . 0.0 109.646 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.516 ' CG ' ' O ' ' A' ' 111' ' ' PHE . 2.0 m-20 169.56 35.49 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.206 -0.934 . . . . 0.0 109.434 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 7.0 pt -124.33 172.95 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.231 -0.918 . . . . 0.0 109.346 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.6 tt -119.68 145.76 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.196 -0.94 . . . . 0.0 109.604 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.533 ' CG ' ' O ' ' A' ' 115' ' ' TYR . 1.2 t80 -111.78 97.6 6.81 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.324 -0.86 . . . . 0.0 109.164 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.75 80.93 1.82 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.233 -0.917 . . . . 0.0 109.542 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 162.19 80.15 0.04 OUTLIER Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.691 ' O ' ' CG ' ' A' ' 118' ' ' TRP . 3.1 p-90 -115.6 115.66 26.8 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.221 -1.164 . . . . 0.0 109.315 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -133.19 158.39 23.14 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.29 166.26 18.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.257 -1.143 . . . . 0.0 109.475 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -101.83 139.17 37.83 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.229 -0.92 . . . . 0.0 109.439 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.482 ' O ' ' C ' ' A' ' 123' ' ' GLU . 2.1 t80 -85.23 101.92 12.9 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.238 -0.914 . . . . 0.0 109.509 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.502 ' OE2' ' O ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -40.24 115.06 0.51 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.267 -0.896 . . . . 0.0 109.372 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 133.8 -19.59 4.18 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.1 mt -80.59 41.64 0.56 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.201 -1.176 . . . . 0.0 109.363 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 62.57 170.97 0.14 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.326 -0.859 . . . . 0.0 109.664 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -167.11 39.55 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.355 -0.84 . . . . 0.0 109.181 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -101.12 134.41 44.18 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.342 -0.849 . . . . 0.0 109.469 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -88.06 102.14 14.47 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.249 -0.907 . . . . 0.0 109.469 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -156.8 3.44 0.14 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.302 -0.874 . . . . 0.0 109.49 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.722 ' CG ' ' H ' ' A' ' 132' ' ' HIS . 1.8 t60 61.51 -137.8 0.53 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.21 -0.931 . . . . 0.0 109.584 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.722 ' H ' ' CG ' ' A' ' 131' ' ' HIS . 61.2 t60 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.553 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 tmm? . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.561 ' O ' ' OG ' ' A' ' 2' ' ' SER . 1.9 t -129.61 44.64 2.93 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.267 -0.896 . . . . 0.0 109.481 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.544 ' ND1' ' C ' ' A' ' 3' ' ' HIS . 2.8 t-80 45.09 86.81 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.301 -0.875 . . . . 0.0 109.688 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.46 131.59 39.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.248 -0.908 . . . . 0.0 109.301 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.525 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 3.7 p30 -85.54 -82.59 0.18 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.167 -0.958 . . . . 0.0 109.503 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.476 ' H ' ' CG ' ' A' ' 5' ' ' ASP . 5.3 t0 52.59 41.98 31.34 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.235 -0.916 . . . . 0.0 109.315 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -65.8 142.54 57.92 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.328 -0.857 . . . . 0.0 109.645 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.17 -167.71 1.67 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.297 -0.877 . . . . 0.0 109.27 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.666 ' O ' ' N ' ' A' ' 12' ' ' GLU . 2.8 m -95.72 -8.53 34.31 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.239 -0.913 . . . . 0.0 109.243 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 9' ' ' SER . 67.8 t -44.61 -33.93 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.162 -0.961 . . . . 0.0 108.873 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -76.6 -19.15 58.15 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.666 ' N ' ' O ' ' A' ' 9' ' ' SER . 5.5 mm-40 -72.18 -56.78 4.98 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.569 -0.707 . . . . 0.0 109.297 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.402 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 5.0 mt -49.73 -48.26 50.19 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.32 -0.863 . . . . 0.0 109.276 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.456 ' O ' ' C ' ' A' ' 15' ' ' GLU . 19.4 mt -51.92 -65.77 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.334 -0.854 . . . . 0.0 109.368 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 14' ' ' ILE . 12.4 mm-40 -41.99 -57.98 2.24 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.347 -0.845 . . . . 0.0 109.298 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.484 ' O ' ' C ' ' A' ' 17' ' ' GLN . 64.1 mt -49.33 -67.49 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.325 -0.859 . . . . 0.0 109.415 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.492 ' O ' ' C ' ' A' ' 18' ' ' LYS . 3.8 mp0 -39.87 -54.62 2.13 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.191 -0.943 . . . . 0.0 109.228 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.492 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -38.54 -58.89 0.98 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.209 -0.932 . . . . 0.0 109.351 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.522 ' O ' ' C ' ' A' ' 20' ' ' GLU . 2.8 mt-10 -56.83 -66.21 0.48 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.244 -0.91 . . . . 0.0 109.513 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.522 ' C ' ' O ' ' A' ' 19' ' ' GLU . 4.0 mm-40 -36.2 -42.93 0.33 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.248 -0.907 . . . . 0.0 109.622 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 22' ' ' ARG . 2.1 m -58.94 -61.45 2.62 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.254 -0.904 . . . . 0.0 109.565 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 21' ' ' THR . 8.2 ttp180 -43.07 -44.87 5.04 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.274 -0.891 . . . . 0.0 109.47 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.66 -48.06 72.8 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.296 -0.877 . . . . 0.0 109.267 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.574 ' O ' ' N ' ' A' ' 26' ' ' GLN . 14.9 mt -70.65 -67.16 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.37 -0.831 . . . . 0.0 109.452 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.502 ' C ' ' O ' ' A' ' 24' ' ' ILE . 17.0 mm -36.78 -29.24 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.266 -0.896 . . . . 0.0 109.519 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.574 ' N ' ' O ' ' A' ' 24' ' ' ILE . 8.5 mm-40 -76.54 -52.71 9.24 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.179 -0.951 . . . . 0.0 109.511 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.67 -49.44 62.35 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.28 -0.888 . . . . 0.0 109.686 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 29' ' ' LEU . 15.2 mt -60.32 -63.17 1.39 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.268 -0.895 . . . . 0.0 109.709 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 28' ' ' LEU . 1.0 OUTLIER -45.23 -55.14 6.13 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.14 -0.975 . . . . 0.0 109.474 -179.784 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -53.09 -31.41 41.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.243 -0.911 . . . . 0.0 109.592 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.28 -23.84 65.72 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.214 -0.929 . . . . 0.0 109.424 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.33 32.67 8.61 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -74.71 126.76 31.56 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.267 -1.137 . . . . 0.0 109.663 -179.844 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 33' ' ' SER . 0.3 OUTLIER -40.78 102.96 0.28 Allowed Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.262 -0.899 . . . . 0.0 109.673 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -56.19 -9.88 3.9 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.598 2.198 . . . . 0.0 112.475 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -119.34 15.35 13.02 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.043 -1.036 . . . . 0.0 109.97 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -85.26 4.3 35.47 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.131 -0.981 . . . . 0.0 109.206 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 64.19 143.09 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.369 -0.832 . . . . 0.0 109.475 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -127.62 160.2 32.35 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.263 -0.898 . . . . 0.0 109.428 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -109.81 127.01 54.38 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.208 -0.932 . . . . 0.0 109.551 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mm -101.61 132.13 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.249 -0.907 . . . . 0.0 109.188 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -115.95 124.21 49.99 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.305 -0.872 . . . . 0.0 109.379 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.495 ' N ' ' CD2' ' A' ' 43' ' ' HIS . 6.4 m-70 -114.88 139.15 50.01 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.172 -0.955 . . . . 0.0 109.532 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.533 ' ND1' ' O ' ' A' ' 117' ' ' GLY . 14.8 m80 -103.1 120.07 40.01 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.316 -0.865 . . . . 0.0 109.564 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.43 ' HB2' ' CE2' ' A' ' 84' ' ' PHE . 4.1 mp -127.45 136.05 51.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.266 -0.896 . . . . 0.0 109.031 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.629 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -126.42 167.97 14.84 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.148 -0.97 . . . . 0.0 109.989 -179.571 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -152.11 177.28 10.67 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.433 -0.792 . . . . 0.0 109.299 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -113.82 -28.84 7.28 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.166 -0.959 . . . . 0.0 109.657 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 51' ' ' ASP . 2.6 t70 -117.98 111.18 18.61 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.203 -0.936 . . . . 0.0 109.764 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -47.5 -20.51 0.24 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.291 -0.881 . . . . 0.0 109.188 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 49' ' ' ASP . 15.7 t70 -65.7 -69.91 0.27 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.327 -0.858 . . . . 0.0 109.377 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.08 -26.5 64.69 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.163 -0.96 . . . . 0.0 109.251 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.454 ' CD2' ' C ' ' A' ' 53' ' ' LEU . 5.2 tt -64.98 -59.81 3.75 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.327 -0.858 . . . . 0.0 109.452 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -50.31 -38.52 42.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.344 -0.847 . . . . 0.0 109.416 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -58.62 -50.31 74.32 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.366 -0.834 . . . . 0.0 109.672 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 57' ' ' ALA . . . -67.08 -64.13 0.92 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.191 -0.943 . . . . 0.0 109.529 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 56' ' ' ALA . . . -41.21 -47.47 3.33 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.301 -0.875 . . . . 0.0 109.674 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.5 t -54.47 -50.32 58.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.203 -0.936 . . . . 0.0 109.626 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.81 -39.0 83.54 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.227 -0.921 . . . . 0.0 109.658 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.43 -58.72 7.37 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.233 -0.917 . . . . 0.0 109.281 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -48.4 -47.26 37.85 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.285 -0.885 . . . . 0.0 109.269 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.46 ' HB3' ' NZ ' ' A' ' 62' ' ' LYS . 1.4 mtpm? -49.27 -60.05 3.15 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.319 -0.863 . . . . 0.0 109.373 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 20.6 mtm -47.41 -60.03 2.8 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.304 -0.873 . . . . 0.0 109.366 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 158.19 32.66 0.02 OUTLIER Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.466 ' CE1' ' HE2' ' A' ' 88' ' ' MET . 58.2 m-85 -102.26 148.84 24.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.249 -1.148 . . . . 0.0 109.378 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -98.97 82.06 2.7 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.235 -0.916 . . . . 0.0 109.311 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.5 p -60.2 124.27 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.2 -0.937 . . . . 0.0 109.601 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.53 ' O ' ' O ' ' A' ' 69' ' ' GLU . 0.6 OUTLIER -102.95 143.98 31.84 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.291 -0.88 . . . . 0.0 109.188 179.762 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.53 ' O ' ' O ' ' A' ' 68' ' ' LEU . 0.6 OUTLIER -40.01 164.03 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.233 -0.917 . . . . 0.0 109.354 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -112.08 175.8 5.28 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.242 -0.911 . . . . 0.0 109.53 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.464 ' OE1' ' C ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -135.27 153.52 51.87 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.29 -0.881 . . . . 0.0 109.398 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.464 ' C ' ' OE1' ' A' ' 71' ' ' GLU . 1.3 mm-40 -75.87 104.59 6.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.312 -0.868 . . . . 0.0 109.366 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.553 ' OG1' ' N ' ' A' ' 74' ' ' GLU . 2.1 t -127.1 -143.34 0.29 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.267 -0.896 . . . . 0.0 109.471 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.553 ' N ' ' OG1' ' A' ' 73' ' ' THR . 6.5 pt-20 -170.99 168.42 6.98 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.326 -0.859 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.531 ' OD1' ' O ' ' A' ' 74' ' ' GLU . 8.2 m-20 -144.96 -121.19 0.08 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.207 -0.933 . . . . 0.0 109.653 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 77' ' ' ASP . 14.4 mt-10 -96.68 16.94 17.6 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.255 -0.903 . . . . 0.0 109.754 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 76' ' ' GLU . 0.4 OUTLIER 169.2 8.85 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.167 -0.958 . . . . 0.0 109.58 179.832 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.659 ' C ' ' H ' ' A' ' 80' ' ' LYS . . . -76.47 -50.84 7.0 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 61.57 -35.66 0.1 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.236 -1.156 . . . . 0.0 109.731 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.659 ' H ' ' C ' ' A' ' 78' ' ' GLY . 15.0 tptt -170.14 73.25 0.07 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.122 -0.986 . . . . 0.0 109.718 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.06 -167.34 1.37 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.16 -0.962 . . . . 0.0 109.293 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 mp -120.14 141.6 49.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.079 -1.013 . . . . 0.0 109.748 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.461 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER -130.5 101.94 5.94 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.325 -0.859 . . . . 0.0 109.222 179.704 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.506 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 5.6 p90 -91.71 149.92 21.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.128 -0.982 . . . . 0.0 109.466 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -103.73 156.16 18.02 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.328 -0.857 . . . . 0.0 109.556 -179.822 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -131.53 131.34 43.32 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.264 -0.897 . . . . 0.0 109.369 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.59 143.43 45.62 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.227 -0.921 . . . . 0.0 109.517 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.466 ' HE2' ' CE1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -149.89 118.42 6.52 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.319 -0.863 . . . . 0.0 109.582 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -71.04 119.62 15.42 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.244 -0.91 . . . . 0.0 109.088 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.46 140.52 31.94 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.061 -1.024 . . . . 0.0 109.818 -179.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.88 142.8 52.89 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.262 -0.899 . . . . 0.0 109.268 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.493 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 1.0 OUTLIER -58.59 109.87 0.88 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.277 -0.889 . . . . 0.0 109.57 -179.85 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.493 ' OD1' ' O ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -170.05 130.36 0.97 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.334 -0.854 . . . . 0.0 109.368 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.65 -50.1 72.55 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.172 -0.955 . . . . 0.0 109.725 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -52.55 -29.32 24.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.233 -0.917 . . . . 0.0 109.608 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.52 -50.62 17.4 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.199 -0.938 . . . . 0.0 109.54 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 51.5 mt -64.54 -28.87 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.355 -0.841 . . . . 0.0 109.682 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.69 -50.35 58.08 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.245 -0.909 . . . . 0.0 109.635 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.66 -48.12 82.16 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.214 -0.929 . . . . 0.0 109.62 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.658 ' OE1' ' N ' ' A' ' 100' ' ' GLN . 0.9 OUTLIER -64.38 -41.98 96.41 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.172 -0.955 . . . . 0.0 109.629 -179.875 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 2.3 t -58.6 -61.59 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.194 -0.941 . . . . 0.0 109.641 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -45.9 -45.12 15.13 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.247 -0.908 . . . . 0.0 109.755 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -56.0 -55.98 26.24 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.235 -0.916 . . . . 0.0 109.927 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 70.3 mt -61.7 -34.13 75.24 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.292 -0.88 . . . . 0.0 109.964 -179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.7 t -66.51 -45.22 89.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.177 -0.952 . . . . 0.0 109.725 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.719 ' N ' HD21 ' A' ' 106' ' ' ASN . 0.8 OUTLIER -63.36 -56.11 19.01 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.179 -0.951 . . . . 0.0 109.789 -179.816 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.4 tp -58.46 -47.62 83.44 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.202 -0.936 . . . . 0.0 109.725 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.38 -45.18 35.47 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.205 -0.934 . . . . 0.0 109.576 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.87 -25.43 48.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.168 -0.957 . . . . 0.0 109.569 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -62.91 -31.95 73.12 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.175 -0.953 . . . . 0.0 109.646 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.491 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 4.4 m-85 -99.19 -77.19 0.52 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.149 -0.97 . . . . 0.0 109.594 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.7 OUTLIER 166.48 36.26 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.174 -0.954 . . . . 0.0 109.734 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 24.1 pt -118.3 137.24 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.119 -0.988 . . . . 0.0 109.335 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.418 HD12 ' N ' ' A' ' 115' ' ' TYR . 0.2 OUTLIER -86.45 113.7 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.222 -0.923 . . . . 0.0 109.651 -179.837 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.481 ' C ' ' CD1' ' A' ' 115' ' ' TYR . 1.0 OUTLIER -99.95 102.65 14.09 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.321 -0.862 . . . . 0.0 109.333 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -152.21 88.26 1.37 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.263 -0.898 . . . . 0.0 109.538 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.533 ' O ' ' ND1' ' A' ' 44' ' ' HIS . . . 162.91 73.86 0.02 OUTLIER Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.525 ' O ' ' CG ' ' A' ' 118' ' ' TRP . 5.9 p-90 -108.69 129.16 55.35 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.188 -1.183 . . . . 0.0 109.532 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -143.71 143.14 11.92 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.404 ' H ' HG22 ' A' ' 120' ' ' THR . 1.8 t -100.18 177.9 4.94 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.216 -1.167 . . . . 0.0 109.621 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.566 ' CZ ' ' O ' ' A' ' 122' ' ' TYR . 1.7 t80 -134.38 131.16 37.91 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.331 -0.856 . . . . 0.0 109.291 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.566 ' O ' ' CZ ' ' A' ' 121' ' ' TYR . 0.7 OUTLIER -54.89 150.21 10.36 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.289 -0.882 . . . . 0.0 109.482 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.68 42.68 0.3 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.287 -0.883 . . . . 0.0 109.513 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 119.39 174.03 15.61 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 18.4 mt -130.12 145.32 51.69 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.303 -1.116 . . . . 0.0 109.464 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.69 ' O ' ' CG ' ' A' ' 127' ' ' HIS . 2.9 mt-10 -130.78 76.68 1.74 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.334 -0.854 . . . . 0.0 109.543 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.69 ' CG ' ' O ' ' A' ' 126' ' ' GLU . 13.9 m80 -163.23 -7.19 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.236 -0.915 . . . . 0.0 109.561 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -81.36 162.28 23.46 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.19 -0.944 . . . . 0.0 109.644 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.618 ' CD2' ' N ' ' A' ' 129' ' ' HIS . 0.0 OUTLIER -136.19 142.52 44.12 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.357 -0.839 . . . . 0.0 109.336 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -130.34 172.78 11.47 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.248 -0.907 . . . . 0.0 109.517 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.469 ' O ' ' C ' ' A' ' 132' ' ' HIS . 1.9 m80 -167.13 -90.81 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.33 -0.856 . . . . 0.0 109.505 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.469 ' C ' ' O ' ' A' ' 131' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.428 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -158.46 27.08 0.24 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.325 -0.86 . . . . 0.0 109.465 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -133.15 38.19 3.35 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.268 -0.895 . . . . 0.0 109.538 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.499 ' CD ' ' H ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -157.99 146.67 19.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.234 -0.916 . . . . 0.0 109.377 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.513 ' C ' ' OD1' ' A' ' 5' ' ' ASP . 17.6 t0 -155.36 124.85 6.37 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.207 -0.933 . . . . 0.0 109.604 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.499 ' O ' ' C ' ' A' ' 7' ' ' TYR . 5.9 t70 -158.45 85.45 0.85 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.371 -0.831 . . . . 0.0 109.243 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.499 ' C ' ' O ' ' A' ' 6' ' ' ASP . 1.0 OUTLIER 39.95 79.07 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.194 -0.941 . . . . 0.0 109.148 -179.722 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.565 ' O ' ' OG ' ' A' ' 9' ' ' SER . 10.3 mp -62.81 164.63 7.67 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.291 -0.88 . . . . 0.0 109.738 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.565 ' OG ' ' O ' ' A' ' 8' ' ' LEU . 1.9 m -172.75 -53.92 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.337 -0.852 . . . . 0.0 109.039 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -57.13 -27.02 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.311 -0.868 . . . . 0.0 109.177 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -71.82 -21.68 61.66 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.347 -0.846 . . . . 0.0 109.316 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -74.71 -48.19 27.29 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.335 -0.853 . . . . 0.0 109.361 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.45 ' N ' HD23 ' A' ' 13' ' ' LEU . 8.0 mt -61.28 -45.99 92.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.328 -0.857 . . . . 0.0 109.482 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.0 mt -62.05 -54.56 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.155 -0.966 . . . . 0.0 109.52 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -52.17 -55.1 23.19 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.171 -0.956 . . . . 0.0 109.556 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.7 mt -47.52 -37.18 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.265 -0.897 . . . . 0.0 109.751 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.549 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.9 OUTLIER -73.53 -35.8 65.61 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.205 -0.934 . . . . 0.0 109.591 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -59.7 -44.25 93.76 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.253 -0.904 . . . . 0.0 109.606 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -68.44 -55.43 11.9 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.282 -0.886 . . . . 0.0 109.693 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -56.06 -27.83 55.08 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.263 -0.898 . . . . 0.0 109.723 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.549 ' OG1' ' O ' ' A' ' 17' ' ' GLN . 68.8 m -67.91 -53.0 29.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.12 -0.988 . . . . 0.0 109.709 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -58.35 -27.32 64.07 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.222 -0.924 . . . . 0.0 109.482 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.37 -52.19 12.88 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.159 -0.963 . . . . 0.0 109.478 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 84.8 mt -61.86 -55.05 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.246 -0.909 . . . . 0.0 109.437 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.2 mp -54.65 -32.81 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.142 -0.974 . . . . 0.0 109.227 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.562 ' NE2' ' O ' ' A' ' 26' ' ' GLN . 6.9 tp60 -68.71 -57.52 5.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.202 -0.936 . . . . 0.0 109.625 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.08 -51.9 60.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.217 -0.927 . . . . 0.0 109.782 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.99 -48.28 80.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.219 -0.926 . . . . 0.0 109.609 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.3 mt -53.55 -45.27 69.79 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.292 -0.88 . . . . 0.0 109.383 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.413 ' CG ' HE22 ' A' ' 26' ' ' GLN . 6.8 mt-10 -68.35 -30.84 69.88 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.253 -0.904 . . . . 0.0 109.476 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -61.25 -36.34 79.73 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.198 -0.939 . . . . 0.0 109.482 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.561 ' O ' ' O ' ' A' ' 33' ' ' SER . . . 123.64 15.8 3.54 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.929 -1.268 . . . . 0.0 109.929 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.561 ' O ' ' O ' ' A' ' 32' ' ' GLY . 1.3 t -48.32 -175.89 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.13 -1.217 . . . . 0.0 109.303 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -142.14 88.88 8.94 Favored Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.156 -0.965 . . . . 0.0 109.504 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -54.32 -17.72 12.74 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.914 2.409 . . . . 0.0 112.291 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.9 12.72 14.49 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.244 -0.91 . . . . 0.0 109.635 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.518 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -120.34 26.88 8.93 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.177 -0.952 . . . . 0.0 109.475 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.518 ' O ' ' O ' ' A' ' 37' ' ' ALA . 27.4 mt 55.45 160.7 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.23 -0.919 . . . . 0.0 109.36 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.67 171.69 13.72 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.271 -0.893 . . . . 0.0 109.428 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.445 ' O ' ' OG1' ' A' ' 120' ' ' THR . 3.5 tt0 -122.56 128.98 51.43 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.228 -0.92 . . . . 0.0 109.623 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.484 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 2.5 mp -122.39 129.32 75.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.322 -0.861 . . . . 0.0 109.23 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -116.02 146.01 42.51 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.22 -0.925 . . . . 0.0 109.488 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.581 ' N ' ' CD2' ' A' ' 43' ' ' HIS . 1.1 m-70 -121.91 154.04 37.65 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.343 -0.848 . . . . 0.0 109.538 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.531 ' NE2' ' OD1' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -120.74 135.62 55.09 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.283 -0.886 . . . . 0.0 109.318 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.53 ' N ' ' CD1' ' A' ' 45' ' ' LEU . 1.4 mp -144.77 146.34 32.1 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.218 -0.927 . . . . 0.0 109.636 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.647 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -125.38 160.84 28.39 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.313 -0.867 . . . . 0.0 109.753 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.6 -179.46 6.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.376 -0.827 . . . . 0.0 109.545 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.76 -45.65 3.79 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.178 -0.951 . . . . 0.0 110.119 -179.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -100.84 143.91 30.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.076 -1.015 . . . . 0.0 109.976 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.499 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -64.61 -30.51 71.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.254 -0.904 . . . . 0.0 109.088 179.721 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.487 ' O ' ' C ' ' A' ' 52' ' ' LYS . 16.9 m-20 -70.62 -72.04 0.22 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.243 -0.911 . . . . 0.0 109.247 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.487 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -39.91 -35.44 0.36 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.251 -0.906 . . . . 0.0 109.074 179.788 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.408 HD23 ' CD1' ' A' ' 84' ' ' PHE . 5.0 tt -66.53 -53.75 31.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.403 -0.81 . . . . 0.0 109.418 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.442 ' O ' ' CG2' ' A' ' 58' ' ' VAL . 15.7 tt0 -55.9 -25.23 41.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.304 -0.872 . . . . 0.0 109.538 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt -76.83 -65.6 0.92 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.178 -0.951 . . . . 0.0 109.352 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.92 -41.35 33.45 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.178 -0.951 . . . . 0.0 109.046 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.93 -49.02 72.02 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.284 -0.885 . . . . 0.0 109.198 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' A' ' 54' ' ' GLU . 17.3 t -50.74 -53.75 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.302 -0.874 . . . . 0.0 109.203 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -51.41 -41.99 61.15 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.222 -0.924 . . . . 0.0 109.3 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.69 -58.08 8.92 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.355 -0.841 . . . . 0.0 109.306 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.474 ' C ' ' CD1' ' A' ' 61' ' ' PHE . 15.3 t80 -47.75 -60.1 2.81 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.264 -0.897 . . . . 0.0 109.44 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -48.36 -42.36 31.36 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.297 -0.877 . . . . 0.0 109.626 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 28.7 mtm -66.09 -24.96 66.8 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.187 -0.946 . . . . 0.0 109.536 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.58 52.29 0.48 Allowed Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.618 ' CZ ' ' CE ' ' A' ' 88' ' ' MET . 23.9 m-85 -132.58 118.44 19.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.251 -1.147 . . . . 0.0 109.256 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.47 88.15 0.06 Allowed 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.153 -0.967 . . . . 0.0 109.266 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 9.3 p -70.19 145.65 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.348 -0.845 . . . . 0.0 109.731 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.28 138.97 54.09 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.213 -0.929 . . . . 0.0 109.3 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -46.02 164.6 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.187 -0.945 . . . . 0.0 109.648 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.412 ' CB ' ' C ' ' A' ' 83' ' ' CYS . . . -107.88 180.0 4.06 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.204 -0.935 . . . . 0.0 109.491 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 72' ' ' GLU . 0.4 OUTLIER -148.31 118.81 7.41 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.274 -0.891 . . . . 0.0 109.393 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -41.63 117.15 0.88 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.176 -0.952 . . . . 0.0 109.406 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.447 HG23 ' N ' ' A' ' 74' ' ' GLU . 14.3 t -116.4 -150.71 0.47 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.35 -0.844 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.447 ' N ' HG23 ' A' ' 73' ' ' THR . 4.6 mt-10 -149.32 122.07 8.67 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.189 -0.944 . . . . 0.0 109.619 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -91.44 -60.56 1.85 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.233 -0.917 . . . . 0.0 109.265 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.497 ' C ' ' H ' ' A' ' 78' ' ' GLY . 2.2 tt0 -96.37 30.05 2.66 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.352 -0.843 . . . . 0.0 109.326 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 51.91 10.26 0.11 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.235 -0.916 . . . . 0.0 109.359 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.497 ' H ' ' C ' ' A' ' 76' ' ' GLU . . . -142.81 16.78 2.4 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.416 -1.473 . . . . 0.0 109.416 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -132.2 -178.15 4.78 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.223 -1.163 . . . . 0.0 109.456 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.87 110.06 2.83 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.277 -0.89 . . . . 0.0 109.401 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.56 168.71 15.99 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.262 -0.899 . . . . 0.0 109.519 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.554 ' CD1' ' N ' ' A' ' 82' ' ' LEU . 4.1 mp -98.3 131.51 44.56 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.175 -0.953 . . . . 0.0 109.573 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.412 ' C ' ' CB ' ' A' ' 70' ' ' ALA . 1.7 p -124.35 113.84 18.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.402 -0.811 . . . . 0.0 109.505 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.517 ' N ' ' CD1' ' A' ' 84' ' ' PHE . 5.3 p90 -100.44 162.01 13.22 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.2 -0.937 . . . . 0.0 109.219 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.531 ' OD1' ' NE2' ' A' ' 44' ' ' HIS . 0.4 OUTLIER -122.6 165.58 16.23 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.153 -0.967 . . . . 0.0 109.956 -179.575 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -139.66 160.75 39.15 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.387 -0.821 . . . . 0.0 109.037 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.02 150.01 45.31 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.029 -1.044 . . . . 0.0 110.105 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.618 ' CE ' ' CZ ' ' A' ' 65' ' ' PHE . 7.4 ttm -156.66 128.69 7.34 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.432 -0.793 . . . . 0.0 109.024 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -96.56 142.68 28.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.192 -0.943 . . . . 0.0 109.846 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.4 p -173.08 -176.91 1.47 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.37 -0.831 . . . . 0.0 109.306 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 93' ' ' ASP . . . -81.46 110.65 17.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.215 -0.928 . . . . 0.0 109.643 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 91' ' ' ALA . 14.1 tp -42.28 96.35 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.273 -0.892 . . . . 0.0 109.406 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.6 OUTLIER -144.1 138.34 28.17 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.252 -0.905 . . . . 0.0 109.586 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.55 -45.31 92.19 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.241 -0.912 . . . . 0.0 109.696 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -53.94 -51.38 64.01 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.154 -0.966 . . . . 0.0 109.53 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 97' ' ' ILE . 4.0 mp -60.49 -65.08 0.74 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.181 -0.949 . . . . 0.0 109.358 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 96' ' ' LEU . 25.7 mt -42.69 -38.88 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.272 -0.892 . . . . 0.0 109.608 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.62 -53.83 48.65 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.223 -0.923 . . . . 0.0 109.768 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -63.13 -46.6 86.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.25 -0.906 . . . . 0.0 109.886 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -56.73 -53.12 61.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.194 -0.941 . . . . 0.0 109.525 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.449 ' O ' ' C ' ' A' ' 102' ' ' GLU . 44.2 t -61.35 -54.47 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.156 -0.965 . . . . 0.0 109.422 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 101' ' ' VAL . 21.7 mt-10 -42.08 -35.97 1.04 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.285 -0.884 . . . . 0.0 109.512 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -68.41 -62.83 1.22 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.285 -0.884 . . . . 0.0 109.406 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 35.4 mt -53.03 -20.77 3.78 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.355 -0.841 . . . . 0.0 109.451 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 22.0 t -74.46 -66.03 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.248 -0.907 . . . . 0.0 109.372 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -50.88 -51.08 55.12 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.271 -0.893 . . . . 0.0 109.464 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.448 HD21 ' N ' ' A' ' 108' ' ' ALA . 1.5 tt -54.54 -46.16 73.54 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.324 -0.86 . . . . 0.0 109.759 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.448 ' N ' HD21 ' A' ' 107' ' ' LEU . . . -53.15 -63.29 1.2 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.205 -0.934 . . . . 0.0 109.644 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.587 ' OE1' ' N ' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -55.1 -41.39 71.56 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.205 -0.934 . . . . 0.0 109.806 -179.774 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -54.94 -29.71 57.07 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.255 -0.903 . . . . 0.0 109.665 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.548 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 7.5 m-85 -95.14 -76.07 0.5 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.215 -0.928 . . . . 0.0 109.51 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.9 OUTLIER 160.91 34.6 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.425 -0.797 . . . . 0.0 109.031 -179.833 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.2 pt -119.17 166.01 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.345 -0.847 . . . . 0.0 109.567 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.42 ' CD1' ' C ' ' A' ' 114' ' ' ILE . 0.1 OUTLIER -114.37 113.25 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.304 -0.873 . . . . 0.0 109.353 179.825 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.553 ' O ' ' CD1' ' A' ' 115' ' ' TYR . 1.1 t80 -93.12 114.38 26.89 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.299 -0.876 . . . . 0.0 109.394 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.483 ' O ' ' OD1' ' A' ' 116' ' ' ASP . 5.5 t0 -162.74 84.36 0.53 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.272 -0.893 . . . . 0.0 109.4 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 163.08 83.33 0.05 OUTLIER Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -119.63 157.76 27.79 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.245 -1.15 . . . . 0.0 109.42 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 175.26 157.14 15.86 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.649 -1.38 . . . . 0.0 109.649 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 40' ' ' GLU . 1.4 t -120.47 167.41 12.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.284 -1.127 . . . . 0.0 109.342 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.86 146.99 41.54 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.234 -0.916 . . . . 0.0 109.45 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -63.17 140.04 58.83 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.19 -0.944 . . . . 0.0 109.301 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -100.74 105.19 16.5 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.182 -0.949 . . . . 0.0 109.558 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 104.81 72.35 0.87 Allowed Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.6 mt -84.82 70.63 10.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.243 -1.151 . . . . 0.0 109.374 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -149.96 12.31 0.76 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.153 -0.967 . . . . 0.0 109.591 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -110.41 52.0 0.74 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.204 -0.935 . . . . 0.0 109.478 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -108.02 129.43 55.13 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.313 -0.867 . . . . 0.0 109.424 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.623 ' CG ' ' N ' ' A' ' 130' ' ' HIS . 0.1 OUTLIER -69.75 -96.21 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.162 -0.961 . . . . 0.0 109.491 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.623 ' N ' ' CG ' ' A' ' 129' ' ' HIS . 3.7 t-160 -98.77 24.58 7.43 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.225 -0.922 . . . . 0.0 109.48 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 54.35 5.19 0.07 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.146 -0.972 . . . . 0.0 109.488 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.555 ' H ' ' C ' ' A' ' 130' ' ' HIS . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 117.992 -1.004 . . . . 0.0 109.441 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.7 mmt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 p -105.84 -43.33 4.91 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.254 -0.904 . . . . 0.0 109.393 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -164.97 -81.33 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.226 -0.921 . . . . 0.0 109.583 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -147.27 160.68 42.22 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.319 -0.863 . . . . 0.0 109.512 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.666 ' OD1' ' N ' ' A' ' 6' ' ' ASP . 8.7 t0 -115.64 162.11 17.71 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.228 -0.92 . . . . 0.0 109.236 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.666 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 4.8 m-20 54.38 157.46 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.186 -0.946 . . . . 0.0 109.164 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -128.6 158.95 37.05 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.208 -0.932 . . . . 0.0 109.663 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.13 56.42 3.17 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.312 -0.867 . . . . 0.0 109.602 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.492 ' O ' ' C ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -130.54 -55.77 1.08 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.219 -0.926 . . . . 0.0 109.328 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.492 ' C ' ' O ' ' A' ' 9' ' ' SER . 4.9 m -39.98 -31.22 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 O-C-N 121.247 -0.908 . . . . 0.0 109.21 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 12' ' ' GLU . 12.0 tp10 -82.01 -61.8 1.81 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.337 -0.852 . . . . 0.0 109.365 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.486 ' C ' ' CD ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -40.62 -31.93 0.18 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.175 -0.953 . . . . 0.0 108.983 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.454 ' N ' ' HG3' ' A' ' 12' ' ' GLU . 0.8 OUTLIER -68.67 -59.73 2.91 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.296 -0.878 . . . . 0.0 108.934 179.546 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 14.1 mt -53.79 -35.3 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.292 -0.88 . . . . 0.0 109.225 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.25 -63.13 1.39 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.478 -0.763 . . . . 0.0 109.591 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 60.1 mt -54.11 -61.04 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.32 -0.862 . . . . 0.0 109.789 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -46.38 -48.54 18.58 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.146 -0.971 . . . . 0.0 109.673 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.43 ' HZ2' ' HB3' ' A' ' 18' ' ' LYS . 11.2 ttpp -59.59 -57.69 11.84 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.234 -0.916 . . . . 0.0 109.626 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -50.6 -63.91 0.98 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.271 -0.893 . . . . 0.0 109.583 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' THR . 41.5 tt0 -41.81 -67.4 0.26 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.281 -0.887 . . . . 0.0 109.592 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.53 ' O ' ' C ' ' A' ' 22' ' ' ARG . 84.8 m -41.69 -64.81 0.52 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.211 -0.931 . . . . 0.0 109.591 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.53 ' C ' ' O ' ' A' ' 21' ' ' THR . 6.2 mtm180 -35.06 -35.37 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.206 -0.934 . . . . 0.0 109.551 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -74.48 -44.62 50.68 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.23 -0.919 . . . . 0.0 109.438 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' A' ' 21' ' ' THR . 62.8 mt -60.38 -54.13 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.22 -0.925 . . . . 0.0 109.373 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.2 mm -52.28 -56.69 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.317 -0.864 . . . . 0.0 109.579 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -51.77 -29.02 17.19 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.258 -0.901 . . . . 0.0 109.465 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.57 -65.4 0.76 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.239 -0.913 . . . . 0.0 109.447 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.9 mt -52.7 -39.77 62.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.285 -0.885 . . . . 0.0 109.589 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.61 -56.74 11.95 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.233 -0.917 . . . . 0.0 109.417 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -52.43 -26.2 12.05 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.265 -0.897 . . . . 0.0 109.498 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.46 -37.48 74.29 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.246 -0.909 . . . . 0.0 109.636 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 123.83 18.18 2.97 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.551 -1.419 . . . . 0.0 109.551 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.2 p -46.98 168.93 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.25 -1.147 . . . . 0.0 109.644 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -119.49 92.31 45.79 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.341 -0.85 . . . . 0.0 109.35 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -53.62 -27.53 42.1 Favored 'Trans proline' 0 C--N 1.307 -1.613 0 C-N-CA 122.87 2.38 . . . . 0.0 112.511 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -79.05 10.55 3.38 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.173 -0.954 . . . . 0.0 109.741 -179.722 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.455 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -104.98 12.36 32.43 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.183 -0.948 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' A' ' 37' ' ' ALA . 9.2 tp 60.29 146.66 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.257 -0.902 . . . . 0.0 109.596 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.458 ' CD2' HD12 ' A' ' 92' ' ' LEU . 1.9 m-85 -130.75 153.92 48.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.399 -0.813 . . . . 0.0 109.476 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -115.93 119.41 35.84 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.261 -0.9 . . . . 0.0 109.538 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.4 mm -97.36 156.66 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.216 -0.927 . . . . 0.0 109.443 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -138.69 125.49 20.98 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.179 -0.95 . . . . 0.0 109.507 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -111.3 134.81 52.62 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.325 -0.859 . . . . 0.0 109.486 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -98.72 123.77 43.14 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.216 -0.927 . . . . 0.0 109.182 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.475 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 3.0 mp -132.75 135.84 45.98 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.105 -0.997 . . . . 0.0 109.713 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.723 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -123.41 154.43 39.04 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.233 -0.917 . . . . 0.0 109.502 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -131.68 -179.95 5.69 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.394 -0.816 . . . . 0.0 109.463 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -107.42 -33.61 7.31 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.323 -0.861 . . . . 0.0 109.552 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.43 139.08 49.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.223 -0.923 . . . . 0.0 109.482 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -62.29 -33.24 74.27 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.234 -0.916 . . . . 0.0 109.317 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -61.34 -68.79 0.28 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.24 -0.913 . . . . 0.0 109.444 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 55' ' ' LYS . 1.1 tpmt? -45.99 -46.34 16.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.198 -0.939 . . . . 0.0 109.262 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.9 tt -44.55 -47.38 10.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.297 -0.877 . . . . 0.0 109.233 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -67.9 -26.64 66.09 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.273 -0.892 . . . . 0.0 109.315 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' LYS . 18.4 mmmt -72.08 -52.66 15.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.239 -0.913 . . . . 0.0 109.589 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.84 -37.78 79.39 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.227 -0.921 . . . . 0.0 109.682 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.45 -41.7 84.28 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.2 -0.937 . . . . 0.0 109.573 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.9 t -58.06 -60.23 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.168 -0.957 . . . . 0.0 109.53 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.0 -36.66 40.55 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.273 -0.892 . . . . 0.0 109.557 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.88 -55.1 25.23 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.257 -0.902 . . . . 0.0 109.534 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -51.28 -49.14 61.8 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.257 -0.902 . . . . 0.0 109.565 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 63' ' ' MET . 1.3 ttpt -52.16 -55.49 20.68 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.223 -0.923 . . . . 0.0 109.51 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 62' ' ' LYS . 1.3 mtt -42.87 -41.02 3.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.234 -0.916 . . . . 0.0 109.518 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.14 19.89 0.46 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.56 ' CZ ' ' SD ' ' A' ' 88' ' ' MET . 12.5 m-85 -98.63 161.84 13.45 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.259 -1.142 . . . . 0.0 109.577 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.451 ' HB2' ' HG1' ' A' ' 87' ' ' THR . 30.8 mt-10 -112.82 90.49 3.36 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.294 -0.879 . . . . 0.0 109.1 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.8 p -62.81 150.8 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.305 -0.872 . . . . 0.0 110.105 -179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.635 ' N ' ' O ' ' A' ' 85' ' ' ASP . 10.4 tp -127.29 139.46 52.88 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.432 -0.792 . . . . 0.0 108.945 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 68' ' ' LEU . 7.6 mt-10 -42.16 154.67 0.05 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.161 -0.962 . . . . 0.0 109.88 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.415 ' HB1' ' N ' ' A' ' 83' ' ' CYS . . . -104.99 168.06 9.3 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.336 -0.853 . . . . 0.0 109.588 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.513 ' O ' ' C ' ' A' ' 72' ' ' GLU . 4.2 tt0 -133.29 108.57 8.82 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.27 -0.893 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.513 ' C ' ' O ' ' A' ' 71' ' ' GLU . 34.2 tt0 -37.68 113.99 0.31 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.22 -0.925 . . . . 0.0 109.481 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.462 ' OG1' ' N ' ' A' ' 74' ' ' GLU . 2.8 t -118.13 -124.27 0.28 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.227 -0.92 . . . . 0.0 109.38 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.462 ' N ' ' OG1' ' A' ' 73' ' ' THR . 1.5 pt-20 -177.87 150.4 0.63 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.363 -0.836 . . . . 0.0 109.434 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.588 ' C ' ' H ' ' A' ' 77' ' ' ASP . 29.9 t70 -80.99 52.86 1.85 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.239 -0.913 . . . . 0.0 109.52 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 53.49 4.14 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.242 -0.911 . . . . 0.0 109.527 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.588 ' H ' ' C ' ' A' ' 75' ' ' ASP . 0.4 OUTLIER -112.8 -38.41 4.57 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.131 -0.981 . . . . 0.0 109.513 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 132.7 0.04 4.48 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.654 -1.378 . . . . 0.0 109.654 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -66.28 171.8 4.47 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.174 -1.192 . . . . 0.0 109.378 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -117.13 123.64 47.25 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.203 -0.936 . . . . 0.0 109.689 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 pp -153.36 160.46 42.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.278 -0.889 . . . . 0.0 109.29 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 mp -104.09 139.88 38.55 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.208 -0.933 . . . . 0.0 109.684 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.415 ' N ' ' HB1' ' A' ' 70' ' ' ALA . 2.5 t -125.98 103.3 7.67 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.383 -0.823 . . . . 0.0 109.329 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 4.0 p90 -91.95 155.74 17.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.158 -0.964 . . . . 0.0 109.025 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.635 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -114.93 147.42 40.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.168 -0.957 . . . . 0.0 110.141 -179.187 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -131.96 134.76 45.98 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.444 -0.785 . . . . 0.0 108.986 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.451 ' HG1' ' HB2' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -113.62 164.44 13.67 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.183 -0.948 . . . . 0.0 109.738 -179.732 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.56 ' SD ' ' CZ ' ' A' ' 65' ' ' PHE . 9.9 ttt -160.66 111.85 1.86 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.313 -0.867 . . . . 0.0 109.513 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.52 ' N ' ' CD ' ' A' ' 89' ' ' GLN . 2.0 mp0 -70.34 138.54 51.53 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.253 -0.904 . . . . 0.0 109.504 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.39 -162.23 1.46 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.261 -0.899 . . . . 0.0 109.455 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.565 ' O ' ' C ' ' A' ' 92' ' ' LEU . . . -117.34 47.85 1.44 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.232 -0.918 . . . . 0.0 109.675 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.565 ' C ' ' O ' ' A' ' 91' ' ' ALA . 2.5 tp 32.14 95.92 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.54 -0.725 . . . . 0.0 109.726 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.78 123.65 6.22 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.207 -0.933 . . . . 0.0 109.634 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.26 -37.93 67.89 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.313 -0.867 . . . . 0.0 109.45 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 41.2 mttp -63.2 -45.37 92.02 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.308 -0.87 . . . . 0.0 109.414 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 97' ' ' ILE . 4.5 tp -67.46 -64.2 0.9 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.287 -0.883 . . . . 0.0 109.313 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 96' ' ' LEU . 25.0 mt -42.35 -34.46 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.355 -0.841 . . . . 0.0 109.466 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.98 -48.8 67.37 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.261 -0.899 . . . . 0.0 109.539 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.428 ' C ' ' HZ3' ' A' ' 103' ' ' LYS . 7.5 mt-10 -61.96 -36.69 82.17 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.255 -0.903 . . . . 0.0 109.523 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -69.56 -50.64 42.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.228 -0.92 . . . . 0.0 109.65 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 22.7 t -61.69 -42.62 95.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.305 -0.872 . . . . 0.0 109.766 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -61.35 -39.53 90.94 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.308 -0.87 . . . . 0.0 109.745 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.428 ' HZ3' ' C ' ' A' ' 99' ' ' GLU . 29.3 mtmm -72.1 -36.58 69.5 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.106 -0.996 . . . . 0.0 109.628 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.41 -34.45 72.53 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.191 -0.943 . . . . 0.0 109.444 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.7 t -67.07 -66.22 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.291 -0.881 . . . . 0.0 109.625 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -47.07 -42.47 18.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.211 -0.931 . . . . 0.0 109.796 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.446 HD23 ' N ' ' A' ' 108' ' ' ALA . 3.4 tt -64.48 -53.1 53.53 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.246 -0.909 . . . . 0.0 109.87 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.446 ' N ' HD23 ' A' ' 107' ' ' LEU . . . -44.3 -57.04 3.72 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.226 -0.921 . . . . 0.0 109.757 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -60.0 -42.26 93.87 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.189 -0.945 . . . . 0.0 109.836 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -50.68 -32.97 20.82 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.141 -0.975 . . . . 0.0 109.566 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.546 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 10.6 m-85 -92.21 -74.97 0.5 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.255 -0.903 . . . . 0.0 109.591 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 1.4 m-20 160.64 35.76 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.284 -0.885 . . . . 0.0 109.424 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 5.3 pt -120.22 177.2 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.283 -0.885 . . . . 0.0 109.564 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -125.61 104.81 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.352 -0.843 . . . . 0.0 109.117 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.566 ' C ' ' CD1' ' A' ' 115' ' ' TYR . 0.8 OUTLIER -94.52 119.59 33.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.226 -0.921 . . . . 0.0 109.518 -179.681 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.481 ' N ' ' CD1' ' A' ' 115' ' ' TYR . 5.7 t70 -163.67 74.46 0.33 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.224 -0.922 . . . . 0.0 109.613 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 168.47 96.12 0.1 Allowed Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.708 -1.357 . . . . 0.0 109.708 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 4.4 p-90 -122.96 138.55 54.65 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.187 -1.184 . . . . 0.0 109.644 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -133.56 159.25 23.59 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.0 t -127.65 150.7 49.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.143 -1.21 . . . . 0.0 109.633 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -91.67 129.2 37.68 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.278 -0.889 . . . . 0.0 109.277 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -103.82 132.21 50.29 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.258 -0.901 . . . . 0.0 109.601 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -86.2 97.72 10.52 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.276 -0.89 . . . . 0.0 109.381 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 147.74 56.16 0.02 OUTLIER Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.4 mt -148.27 85.58 1.53 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.207 -1.173 . . . . 0.0 109.359 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -87.38 -148.13 0.15 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.262 -0.898 . . . . 0.0 109.515 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -151.96 120.57 6.48 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.261 -0.9 . . . . 0.0 109.511 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -177.79 -49.17 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.3 -0.875 . . . . 0.0 109.415 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -124.27 178.44 5.36 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.278 -0.889 . . . . 0.0 109.478 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.26 -166.04 1.12 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.225 -0.922 . . . . 0.0 109.52 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.739 ' N ' ' ND1' ' A' ' 131' ' ' HIS . 0.1 OUTLIER -108.87 63.9 0.61 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.263 -0.898 . . . . 0.0 109.424 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 15.7 m170 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 118.051 -0.976 . . . . 0.0 109.49 -179.96 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 mtm . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.283 0.563 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.03 90.99 3.48 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.19 -0.944 . . . . 0.0 109.486 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.489 ' O ' ' CB ' ' A' ' 4' ' ' GLN . 2.6 p-80 -53.35 -27.94 26.22 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.203 -0.935 . . . . 0.0 109.502 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 3' ' ' HIS . 2.7 tt0 73.76 156.41 0.17 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.514 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -87.91 -131.91 0.07 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.242 -0.911 . . . . 0.0 109.358 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.505 ' O ' ' O ' ' A' ' 7' ' ' TYR . 7.6 t70 -174.86 115.45 0.17 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.13 -0.981 . . . . 0.0 109.616 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.505 ' O ' ' O ' ' A' ' 6' ' ' ASP . 0.1 OUTLIER 44.41 98.23 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.333 -0.855 . . . . 0.0 109.859 179.83 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.652 ' O ' ' N ' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -116.65 -89.23 0.58 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.286 -0.884 . . . . 0.0 109.289 179.655 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.624 ' HG ' ' C ' ' A' ' 8' ' ' LEU . 0.9 OUTLIER 61.91 -58.56 0.12 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.284 -0.885 . . . . 0.0 109.549 179.809 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.652 ' N ' ' O ' ' A' ' 8' ' ' LEU . 6.5 m -48.02 -26.63 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.333 -0.854 . . . . 0.0 109.53 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -77.71 -33.49 53.05 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.217 -0.927 . . . . 0.0 109.424 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -61.51 -53.7 52.93 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.211 -0.931 . . . . 0.0 109.331 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.0 mt -52.9 -50.38 64.03 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.33 -0.856 . . . . 0.0 109.232 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 78.6 mt -59.6 -30.41 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.335 -0.853 . . . . 0.0 109.557 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.7 -66.52 0.53 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.267 -0.895 . . . . 0.0 109.527 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.5 mt -52.05 -41.46 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.266 -0.896 . . . . 0.0 109.66 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.477 ' O ' ' C ' ' A' ' 18' ' ' LYS . 2.7 tp-100 -60.15 -60.43 3.83 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.183 -0.948 . . . . 0.0 109.669 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 17' ' ' GLN . 2.9 ttmt -40.49 -50.47 2.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.231 -0.918 . . . . 0.0 109.49 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.21 -50.44 70.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.265 -0.897 . . . . 0.0 109.618 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 21' ' ' THR . 30.5 tt0 -49.39 -62.79 1.35 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.225 -0.922 . . . . 0.0 109.343 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 20' ' ' GLU . 25.3 m -42.6 -53.77 4.27 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.173 -0.954 . . . . 0.0 109.315 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 21' ' ' THR . 24.4 ttp180 -43.53 -45.17 6.43 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.186 -0.946 . . . . 0.0 109.33 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -63.24 -39.02 93.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.275 -0.891 . . . . 0.0 109.473 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.472 ' O ' ' C ' ' A' ' 25' ' ' ILE . 39.0 mt -69.95 -64.31 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.216 -0.928 . . . . 0.0 109.401 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.472 ' C ' ' O ' ' A' ' 24' ' ' ILE . 19.1 mm -40.58 -44.31 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.259 -0.901 . . . . 0.0 109.192 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -58.96 5.71 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.407 -0.808 . . . . 0.0 109.399 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 28' ' ' LEU . . . -46.28 -66.32 0.42 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.238 -0.914 . . . . 0.0 109.545 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.68 ' O ' ' N ' ' A' ' 32' ' ' GLY . 13.4 mt -43.02 -65.67 0.46 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.149 -0.969 . . . . 0.0 109.36 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.543 ' C ' ' O ' ' A' ' 28' ' ' LEU . 1.3 mm? -35.43 -52.33 0.63 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.239 -0.913 . . . . 0.0 109.393 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -61.29 -35.97 78.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.303 -0.873 . . . . 0.0 109.287 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.611 ' N ' ' O ' ' A' ' 28' ' ' LEU . 7.9 m-20 -140.05 56.92 1.62 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.28 -0.888 . . . . 0.0 109.498 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.68 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . 167.2 30.74 0.02 OUTLIER Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.716 -1.353 . . . . 0.0 109.716 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.6 t -62.4 -115.49 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.22 -1.165 . . . . 0.0 109.527 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.524 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 0.6 OUTLIER 45.96 50.67 8.39 Favored Pre-proline 0 N--CA 1.49 1.525 0 O-C-N 121.19 -0.944 . . . . 0.0 109.507 -179.878 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 34' ' ' ASP . 35.6 Cg_endo -68.14 -8.02 21.6 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.794 2.329 . . . . 0.0 111.881 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -82.31 3.93 25.79 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.26 -0.9 . . . . 0.0 109.314 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.44 -107.98 0.14 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.301 -0.874 . . . . 0.0 109.354 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -167.89 144.54 4.12 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.273 -0.892 . . . . 0.0 109.354 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -127.02 126.38 43.02 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.307 -0.871 . . . . 0.0 109.446 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -98.73 120.61 39.46 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.129 -0.982 . . . . 0.0 109.334 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.561 ' N ' ' CD1' ' A' ' 41' ' ' ILE . 1.5 mp -94.4 148.21 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.284 -0.885 . . . . 0.0 109.945 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -124.15 112.73 17.44 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.391 -0.818 . . . . 0.0 109.079 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.4 ' C ' ' CD2' ' A' ' 44' ' ' HIS . 99.3 m-70 -97.19 158.49 15.42 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.236 -0.915 . . . . 0.0 109.805 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.551 ' ND1' ' O ' ' A' ' 117' ' ' GLY . 3.2 m80 -133.03 105.83 7.3 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.384 -0.823 . . . . 0.0 109.463 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.46 ' H ' HD11 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -120.35 134.85 55.19 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.316 -0.865 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.625 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -117.1 155.63 28.98 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.217 -0.927 . . . . 0.0 109.8 -179.767 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -122.99 172.5 8.46 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.439 -0.788 . . . . 0.0 109.33 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -113.86 -12.13 12.75 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.232 -0.918 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -130.89 119.87 22.8 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.293 -0.879 . . . . 0.0 109.324 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.651 ' CE2' ' OD1' ' A' ' 51' ' ' ASP . 20.7 p90 -49.3 -26.61 3.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.241 -0.912 . . . . 0.0 109.471 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.651 ' OD1' ' CE2' ' A' ' 50' ' ' PHE . 67.6 m-20 -67.81 -71.31 0.21 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.303 -0.873 . . . . 0.0 109.525 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.467 ' HA ' ' HZ3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -53.82 -26.8 25.96 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.193 -0.942 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.54 ' CD2' ' C ' ' A' ' 53' ' ' LEU . 6.2 tt -59.48 -50.46 73.83 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.32 -0.862 . . . . 0.0 109.476 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -65.59 -32.12 73.53 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.215 -0.928 . . . . 0.0 109.713 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.03 -63.2 1.11 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.129 -0.982 . . . . 0.0 109.714 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.24 -34.93 70.99 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.197 -0.939 . . . . 0.0 109.885 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.99 -39.21 76.03 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.165 -0.959 . . . . 0.0 109.523 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.7 t -67.62 -49.02 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.251 -0.906 . . . . 0.0 109.589 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -54.67 44.47 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.239 -0.913 . . . . 0.0 109.529 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.56 -36.03 32.63 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.245 -0.909 . . . . 0.0 109.406 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -74.75 -32.88 62.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.29 -0.881 . . . . 0.0 109.307 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -62.33 -40.01 94.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.355 -0.841 . . . . 0.0 109.329 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.6 mtt -59.54 -51.38 70.08 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.205 -0.934 . . . . 0.0 109.342 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 150.12 34.84 0.04 OUTLIER Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.418 ' CZ ' ' HE1' ' A' ' 88' ' ' MET . 18.0 m-85 -110.33 141.81 42.83 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.245 -1.15 . . . . 0.0 109.694 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.68 80.64 8.93 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.264 -0.897 . . . . 0.0 109.322 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.5 p -61.74 127.46 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.14 -0.975 . . . . 0.0 109.616 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.551 ' N ' ' O ' ' A' ' 85' ' ' ASP . 5.1 tp -102.57 142.98 32.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.303 -0.873 . . . . 0.0 109.253 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 68' ' ' LEU . 2.9 mm-40 -43.65 163.79 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.223 -0.923 . . . . 0.0 109.567 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.459 ' HB2' ' N ' ' A' ' 83' ' ' CYS . . . -112.56 171.18 7.68 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.222 -0.924 . . . . 0.0 109.581 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -128.75 142.72 50.91 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.309 -0.869 . . . . 0.0 109.348 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -52.09 136.31 29.79 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.232 -0.917 . . . . 0.0 109.454 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.48 -171.56 2.29 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.318 -0.864 . . . . 0.0 109.493 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 178.45 145.47 0.13 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.284 -0.885 . . . . 0.0 109.352 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -96.63 -15.24 21.63 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.184 -0.948 . . . . 0.0 109.691 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -167.98 37.48 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.186 -0.946 . . . . 0.0 109.473 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 t70 60.13 28.56 18.13 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.258 -0.902 . . . . 0.0 109.376 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -132.46 -7.54 2.75 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -131.55 157.62 43.1 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.194 -1.18 . . . . 0.0 109.541 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -129.49 99.87 5.34 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.225 -0.922 . . . . 0.0 109.511 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 mt -106.47 174.9 5.69 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.349 -0.844 . . . . 0.0 109.517 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 mp -128.4 136.39 50.83 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.326 -0.859 . . . . 0.0 109.242 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.459 ' N ' ' HB2' ' A' ' 70' ' ' ALA . 16.1 m -124.73 100.1 6.47 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.216 -0.928 . . . . 0.0 109.942 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.547 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 2.2 p90 -90.78 143.5 26.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.171 -0.956 . . . . 0.0 108.743 179.341 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.551 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -103.04 161.97 13.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.131 -0.98 . . . . 0.0 110.044 -179.363 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -137.06 138.03 39.97 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.377 -0.827 . . . . 0.0 109.063 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.25 137.0 53.33 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.204 -0.935 . . . . 0.0 109.654 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.418 ' HE1' ' CZ ' ' A' ' 65' ' ' PHE . 1.1 tpt -139.6 121.11 15.12 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.288 -0.882 . . . . 0.0 109.454 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -81.61 120.63 25.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.263 -0.898 . . . . 0.0 109.412 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.59 178.45 8.28 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.299 -0.876 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -91.4 142.44 27.68 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.135 -0.978 . . . . 0.0 109.42 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 9.6 tp -55.3 103.16 0.08 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.326 -0.859 . . . . 0.0 109.629 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -156.2 126.05 6.42 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.179 -0.951 . . . . 0.0 109.562 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.36 -40.5 94.52 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.279 -0.888 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -62.31 -56.41 18.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.274 -0.891 . . . . 0.0 109.192 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.7 mp -51.71 -43.74 62.93 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.242 -0.911 . . . . 0.0 109.008 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 36.8 mt -64.58 -28.94 45.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.334 -0.854 . . . . 0.0 109.239 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -68.12 -52.84 30.31 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.34 -0.85 . . . . 0.0 109.573 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -59.65 -48.61 80.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.172 -0.955 . . . . 0.0 109.342 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -51.82 -52.64 47.73 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.298 -0.876 . . . . 0.0 109.435 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 102' ' ' GLU . 90.2 t -62.18 -59.29 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.236 -0.915 . . . . 0.0 109.629 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 101' ' ' VAL . 27.5 tt0 -44.18 -32.24 1.19 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.33 -0.856 . . . . 0.0 109.771 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -69.53 -49.53 53.62 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.275 -0.891 . . . . 0.0 109.519 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 23.2 mt -67.99 -25.15 65.27 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.29 -0.881 . . . . 0.0 109.452 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 59.7 t -71.52 -54.52 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.235 -0.916 . . . . 0.0 109.386 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.0 -47.91 83.5 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.293 -0.879 . . . . 0.0 109.371 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.4 HD21 ' N ' ' A' ' 108' ' ' ALA . 1.5 tt -61.75 -45.75 92.58 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.301 -0.874 . . . . 0.0 109.535 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.4 ' N ' HD21 ' A' ' 107' ' ' LEU . . . -47.15 -57.44 5.12 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.15 -0.969 . . . . 0.0 109.481 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.661 ' OE1' ' N ' ' A' ' 109' ' ' GLU . 1.0 OUTLIER -66.93 -20.31 65.88 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.251 -0.906 . . . . 0.0 109.498 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -68.69 -30.69 69.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.169 -0.957 . . . . 0.0 109.494 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.543 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 10.4 m-85 -102.58 -75.52 0.6 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.193 -0.942 . . . . 0.0 109.544 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.543 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 1.9 m-20 162.25 45.89 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.28 -0.888 . . . . 0.0 109.47 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.2 pt -127.0 151.63 34.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.115 -0.99 . . . . 0.0 109.386 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -98.01 110.17 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.308 -0.87 . . . . 0.0 109.609 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -89.73 127.62 35.97 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.246 -0.909 . . . . 0.0 109.338 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.466 ' O ' ' CG ' ' A' ' 116' ' ' ASP . 0.7 OUTLIER -178.12 81.16 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.127 -0.983 . . . . 0.0 109.488 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.551 ' O ' ' ND1' ' A' ' 44' ' ' HIS . . . 163.13 83.03 0.05 OUTLIER Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.464 ' O ' ' CG ' ' A' ' 118' ' ' TRP . 5.2 p-90 -121.35 132.23 54.65 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.266 -1.137 . . . . 0.0 109.281 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -139.48 165.1 25.87 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.09 150.83 48.27 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.334 -1.097 . . . . 0.0 109.363 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -113.53 134.29 54.77 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.239 -0.913 . . . . 0.0 109.469 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.433 ' O ' ' N ' ' A' ' 124' ' ' GLY . 21.6 t80 -73.95 107.44 6.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.346 -0.846 . . . . 0.0 109.394 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -47.58 97.73 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.304 -0.872 . . . . 0.0 109.536 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.569 ' O ' ' O ' ' A' ' 125' ' ' LEU . . . -160.03 -65.04 0.01 OUTLIER Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 124' ' ' GLY . 0.5 OUTLIER 45.91 102.86 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.186 -1.185 . . . . 0.0 109.612 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.13 -154.55 0.45 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.267 -0.896 . . . . 0.0 109.489 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -91.7 93.09 8.73 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.303 -0.873 . . . . 0.0 109.506 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.485 ' O ' ' CG ' ' A' ' 129' ' ' HIS . 1.8 t-80 -168.56 161.17 11.41 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.358 -0.839 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.485 ' CG ' ' O ' ' A' ' 128' ' ' HIS . 1.8 m-70 177.31 -30.38 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.112 -0.993 . . . . 0.0 109.737 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 131' ' ' HIS . 18.6 p-80 -156.29 106.4 2.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.197 -0.94 . . . . 0.0 109.465 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 130' ' ' HIS . 33.1 m170 43.09 -104.57 0.06 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.206 -0.934 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 1.7 m80 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 118.033 -0.984 . . . . 0.0 109.417 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.519 ' O ' ' C ' ' A' ' 3' ' ' HIS . 0.8 OUTLIER -148.65 148.28 29.91 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.223 -0.923 . . . . 0.0 109.544 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.519 ' C ' ' O ' ' A' ' 2' ' ' SER . 7.7 m-70 -36.35 115.05 0.33 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.232 -0.917 . . . . 0.0 109.57 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -125.85 -122.74 0.25 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.259 -0.901 . . . . 0.0 109.449 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -109.18 -129.94 0.29 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.244 -0.91 . . . . 0.0 109.476 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -159.76 109.74 1.87 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.158 -0.964 . . . . 0.0 109.694 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -101.57 -176.47 3.15 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.251 -0.906 . . . . 0.0 109.377 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.583 ' O ' ' CB ' ' A' ' 9' ' ' SER . 0.5 OUTLIER -111.84 -76.09 0.6 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.199 -0.938 . . . . 0.0 109.218 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.583 ' CB ' ' O ' ' A' ' 8' ' ' LEU . 0.8 OUTLIER 80.35 -59.6 0.3 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.23 -0.919 . . . . 0.0 109.588 179.8 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.9 m -52.55 -26.79 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.188 -0.945 . . . . 0.0 109.632 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 12' ' ' GLU . 1.0 OUTLIER -70.0 -65.06 0.77 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.268 -0.895 . . . . 0.0 109.354 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.519 ' CA ' ' OE1' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -44.03 -57.58 3.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.233 -0.917 . . . . 0.0 109.359 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 14' ' ' ILE . 62.7 mt -50.95 -60.44 3.08 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.224 -0.923 . . . . 0.0 109.415 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.433 HG23 ' NZ ' ' A' ' 18' ' ' LYS . 49.7 mt -45.3 -47.66 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.275 -0.89 . . . . 0.0 109.541 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.16 -51.0 65.71 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.261 -0.9 . . . . 0.0 109.292 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 83.4 mt -62.29 -24.34 34.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.232 -0.917 . . . . 0.0 109.177 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -73.75 -40.39 63.53 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.343 -0.848 . . . . 0.0 109.158 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.433 ' NZ ' HG23 ' A' ' 14' ' ' ILE . 8.6 mttt -63.81 -33.72 76.3 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.141 -0.974 . . . . 0.0 109.101 179.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 20' ' ' GLU . 20.6 mt-10 -72.89 -68.87 0.45 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.338 -0.851 . . . . 0.0 109.3 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 19' ' ' GLU . 1.2 tt0 -39.51 -65.39 0.39 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.25 -0.906 . . . . 0.0 109.345 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.519 ' O ' ' C ' ' A' ' 22' ' ' ARG . 2.7 m -44.07 -68.23 0.21 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.288 -0.882 . . . . 0.0 109.33 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.53 ' CG ' HH11 ' A' ' 22' ' ' ARG . 0.0 OUTLIER -37.53 -43.19 0.58 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.348 -0.845 . . . . 0.0 109.267 179.748 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.35 -46.7 87.5 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.222 -0.924 . . . . 0.0 109.59 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.486 ' O ' ' C ' ' A' ' 25' ' ' ILE . 74.7 mt -66.65 -59.4 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.3 -0.875 . . . . 0.0 109.271 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.486 ' C ' ' O ' ' A' ' 24' ' ' ILE . 9.0 mm -39.78 -47.24 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.214 -0.929 . . . . 0.0 109.285 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -57.92 -45.75 86.05 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.303 -0.873 . . . . 0.0 109.551 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . -61.63 -43.56 98.63 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.255 -0.903 . . . . 0.0 109.661 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.5 mt -65.67 -63.9 0.99 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.191 -0.943 . . . . 0.0 109.62 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 30' ' ' GLU . 1.6 mp -50.09 -62.38 1.61 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.163 -0.961 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.526 ' C ' ' OE1' ' A' ' 30' ' ' GLU . 0.7 OUTLIER -41.99 -50.33 4.6 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.186 -0.946 . . . . 0.0 109.334 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.416 ' N ' ' OE1' ' A' ' 30' ' ' GLU . 8.6 t70 -52.69 -43.52 65.66 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.241 -0.912 . . . . 0.0 109.505 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.51 ' O ' ' C ' ' A' ' 33' ' ' SER . . . 134.87 6.55 2.23 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.854 -1.299 . . . . 0.0 109.854 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.51 ' C ' ' O ' ' A' ' 32' ' ' GLY . 65.0 p -38.3 157.02 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.068 -1.254 . . . . 0.0 109.367 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.439 ' C ' ' H ' ' A' ' 36' ' ' ASP . 7.0 m-20 -122.05 91.77 48.9 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.218 -0.926 . . . . 0.0 109.446 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -61.5 2.82 0.44 Allowed 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.954 2.436 . . . . 0.0 112.25 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.439 ' H ' ' C ' ' A' ' 34' ' ' ASP . 3.0 t70 -86.06 -19.4 30.31 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.19 -0.944 . . . . 0.0 109.693 -179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.574 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -95.98 25.05 5.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.166 -0.959 . . . . 0.0 109.619 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.574 ' O ' ' O ' ' A' ' 37' ' ' ALA . 3.4 mt 56.59 146.08 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.148 -0.97 . . . . 0.0 109.409 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.455 ' CD1' HD11 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -117.92 167.96 10.95 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.255 -0.903 . . . . 0.0 109.462 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -121.92 135.19 54.86 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.237 -0.915 . . . . 0.0 109.505 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 42' ' ' GLU . 5.2 mp -128.89 151.46 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.288 -0.882 . . . . 0.0 109.4 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.414 ' N ' HG22 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -131.93 150.3 52.19 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.213 -0.929 . . . . 0.0 109.742 -179.766 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.425 ' ND1' HD12 ' A' ' 104' ' ' LEU . 15.7 m-70 -125.32 153.52 43.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.282 -0.886 . . . . 0.0 109.241 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -118.25 110.17 17.22 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.186 -0.946 . . . . 0.0 109.805 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.477 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 4.0 mp -124.13 130.81 53.18 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.246 -0.909 . . . . 0.0 109.209 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.717 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -118.8 163.06 17.44 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.102 -0.998 . . . . 0.0 109.899 -179.78 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.07 177.67 8.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.374 -0.829 . . . . 0.0 109.212 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.622 ' H ' ' CD ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -121.79 -4.73 9.16 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.256 -0.902 . . . . 0.0 109.561 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.533 ' O ' ' C ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -125.09 107.42 10.77 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.196 -0.94 . . . . 0.0 109.548 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.533 ' C ' ' O ' ' A' ' 49' ' ' ASP . 89.2 t80 -36.6 -45.63 0.53 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.208 -0.932 . . . . 0.0 109.365 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.561 ' CG ' ' NZ ' ' A' ' 55' ' ' LYS . 14.9 t0 -61.79 -69.01 0.27 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.235 -0.916 . . . . 0.0 109.234 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 51' ' ' ASP . 3.0 tppt? -40.7 -32.24 0.2 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.264 -0.897 . . . . 0.0 109.229 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 51' ' ' ASP . 6.5 tt -66.99 -51.11 59.19 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.27 -0.893 . . . . 0.0 109.382 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -60.93 -40.97 95.24 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.233 -0.917 . . . . 0.0 109.572 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.561 ' NZ ' ' CG ' ' A' ' 51' ' ' ASP . 47.5 mttp -54.85 -63.85 1.02 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.284 -0.885 . . . . 0.0 109.677 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.66 -45.41 85.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.267 -0.896 . . . . 0.0 109.566 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.94 -64.24 0.88 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.315 -0.866 . . . . 0.0 109.62 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.1 t -44.73 -44.21 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.199 -0.938 . . . . 0.0 109.452 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.79 -43.65 85.76 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.231 -0.918 . . . . 0.0 109.332 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.57 -45.2 84.22 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.288 -0.882 . . . . 0.0 109.438 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.579 ' CD1' ' O ' ' A' ' 61' ' ' PHE . 5.2 t80 -66.7 -19.64 65.8 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.24 -0.912 . . . . 0.0 109.529 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.5 tttm -77.79 -38.34 46.86 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.196 -0.94 . . . . 0.0 109.375 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 17.8 mtm -68.46 -49.98 55.86 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.261 -0.9 . . . . 0.0 109.483 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 158.19 -16.14 0.29 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.706 -1.358 . . . . 0.0 109.706 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.491 ' CE2' ' SD ' ' A' ' 88' ' ' MET . 57.1 m-85 -64.95 131.47 46.72 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.295 -1.121 . . . . 0.0 109.692 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -86.07 102.17 13.6 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.288 -0.882 . . . . 0.0 109.167 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 9.5 p -63.31 139.71 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.2 -0.937 . . . . 0.0 109.796 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.67 ' N ' ' O ' ' A' ' 85' ' ' ASP . 4.9 mp -111.95 138.74 48.16 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.415 -0.803 . . . . 0.0 109.081 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 68' ' ' LEU . 2.6 mm-40 -41.23 146.95 0.16 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.248 -0.907 . . . . 0.0 109.896 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.73 -179.92 5.03 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.41 -0.806 . . . . 0.0 109.391 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.505 ' O ' ' C ' ' A' ' 72' ' ' GLU . 0.9 OUTLIER -145.16 107.08 4.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.247 -0.908 . . . . 0.0 109.296 179.879 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.602 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -37.91 114.25 0.34 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.237 -0.915 . . . . 0.0 109.189 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.615 ' OG1' ' N ' ' A' ' 74' ' ' GLU . 1.1 t -133.28 -159.68 0.99 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.203 -0.935 . . . . 0.0 109.413 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.615 ' N ' ' OG1' ' A' ' 73' ' ' THR . 0.6 OUTLIER -147.54 163.66 35.88 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.242 -0.911 . . . . 0.0 109.442 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.403 ' O ' ' CB ' ' A' ' 76' ' ' GLU . 0.8 OUTLIER -133.72 28.07 3.94 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.333 -0.854 . . . . 0.0 109.133 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 75' ' ' ASP . 1.2 tt0 69.51 0.96 3.14 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.387 -0.821 . . . . 0.0 109.273 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 78' ' ' GLY . 58.6 p30 -150.4 -11.43 0.25 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.377 -0.827 . . . . 0.0 109.356 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.647 ' O ' ' N ' ' A' ' 80' ' ' LYS . . . -100.7 -24.89 8.93 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 60.33 -64.72 0.05 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.367 -1.078 . . . . 0.0 109.681 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.647 ' N ' ' O ' ' A' ' 78' ' ' GLY . 5.0 tttp -134.21 106.11 6.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.2 -0.937 . . . . 0.0 109.742 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.3 pp -141.53 173.06 11.86 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.325 -0.86 . . . . 0.0 109.284 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.42 ' CD1' ' N ' ' A' ' 82' ' ' LEU . 7.1 mp -112.99 136.83 52.24 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.211 -0.93 . . . . 0.0 109.411 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.568 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 30.5 p -126.7 102.27 6.99 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.277 -0.889 . . . . 0.0 109.626 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.483 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 6.7 p90 -94.69 149.14 21.55 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.222 -0.924 . . . . 0.0 109.194 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.67 ' O ' ' N ' ' A' ' 68' ' ' LEU . 3.3 t70 -113.27 147.21 38.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.16 -0.963 . . . . 0.0 109.99 -179.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -126.38 142.9 51.36 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.269 -0.894 . . . . 0.0 109.101 179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.2 166.63 12.03 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.191 -0.943 . . . . 0.0 109.881 -179.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.491 ' SD ' ' CE2' ' A' ' 65' ' ' PHE . 14.6 ttm -167.23 135.1 2.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.322 -0.861 . . . . 0.0 109.208 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.58 146.52 23.6 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.156 -0.965 . . . . 0.0 109.729 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.411 ' HG ' ' CD1' ' A' ' 41' ' ' ILE . 90.7 p -154.38 -178.16 6.95 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.324 -0.86 . . . . 0.0 109.259 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.539 ' O ' ' C ' ' A' ' 92' ' ' LEU . . . -99.28 43.48 1.06 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.215 -0.928 . . . . 0.0 109.672 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.539 ' C ' ' O ' ' A' ' 91' ' ' ALA . 0.6 OUTLIER 36.11 93.2 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.278 -0.889 . . . . 0.0 109.496 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.499 ' O ' ' C ' ' A' ' 94' ' ' ALA . 0.4 OUTLIER -160.29 110.5 1.82 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.314 -0.866 . . . . 0.0 109.406 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.527 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -38.49 -68.42 0.16 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.203 -0.935 . . . . 0.0 109.492 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.527 ' C ' ' O ' ' A' ' 94' ' ' ALA . 41.1 tttp -34.26 -43.87 0.17 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.307 -0.87 . . . . 0.0 109.757 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.4 mp -69.9 -58.02 4.36 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.17 -0.956 . . . . 0.0 109.609 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 30.1 mt -49.45 -24.51 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.239 -0.913 . . . . 0.0 109.515 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.93 -57.57 3.88 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.275 -0.891 . . . . 0.0 109.614 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -55.87 -40.06 72.4 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.219 -0.926 . . . . 0.0 109.679 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.551 ' OE1' ' N ' ' A' ' 100' ' ' GLN . 2.1 mp0 -68.08 -53.23 27.06 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.203 -0.936 . . . . 0.0 109.711 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 10.2 t -57.83 -33.48 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.192 -0.942 . . . . 0.0 109.578 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -66.35 -39.26 89.07 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.245 -0.909 . . . . 0.0 109.513 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -60.79 -51.68 68.3 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.271 -0.893 . . . . 0.0 109.401 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.425 HD12 ' ND1' ' A' ' 43' ' ' HIS . 17.1 mt -61.28 -25.06 66.84 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.237 -0.915 . . . . 0.0 109.421 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.1 t -72.94 -61.8 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.248 -0.907 . . . . 0.0 109.508 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -55.2 -42.18 72.95 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.212 -0.93 . . . . 0.0 109.576 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.7 tp -66.33 -52.21 49.48 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.293 -0.88 . . . . 0.0 109.425 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.419 ' HA ' ' CG1' ' A' ' 113' ' ' ILE . . . -47.54 -56.36 7.27 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.328 -0.857 . . . . 0.0 110.137 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -66.64 -40.6 88.79 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.159 -0.963 . . . . 0.0 110.06 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -50.35 -28.48 8.05 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.189 -0.944 . . . . 0.0 109.919 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.5 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 9.0 m-85 -100.03 -74.73 0.59 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.092 -1.005 . . . . 0.0 109.519 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.9 OUTLIER 165.08 34.34 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.263 -0.898 . . . . 0.0 109.232 -179.797 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.419 ' CG1' ' HA ' ' A' ' 108' ' ' ALA . 30.7 pt -124.48 156.76 32.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.365 -0.834 . . . . 0.0 109.37 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.417 HG13 ' N ' ' A' ' 115' ' ' TYR . 0.3 OUTLIER -106.07 144.07 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.21 -0.931 . . . . 0.0 109.751 -179.658 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.671 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 2.0 t80 -120.04 90.23 3.29 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.333 -0.854 . . . . 0.0 109.144 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -136.57 78.9 1.73 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.185 -0.947 . . . . 0.0 109.492 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 167.02 79.79 0.04 OUTLIER Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.414 ' CD2' ' C ' ' A' ' 118' ' ' TRP . 3.3 p-90 -118.68 140.25 50.22 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.241 -1.152 . . . . 0.0 109.409 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -154.81 169.93 33.04 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.69 138.71 46.0 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.284 -1.127 . . . . 0.0 109.344 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -66.6 136.2 55.25 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.209 -0.932 . . . . 0.0 109.611 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -87.23 125.85 34.45 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.324 -0.86 . . . . 0.0 109.38 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -82.42 96.46 7.99 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.163 -0.961 . . . . 0.0 109.448 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 166.4 -76.02 0.14 Allowed Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.501 -1.439 . . . . 0.0 109.501 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.589 ' O ' ' O ' ' A' ' 126' ' ' GLU . 0.8 OUTLIER 48.29 78.2 0.09 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.244 -1.15 . . . . 0.0 109.567 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.589 ' O ' ' O ' ' A' ' 125' ' ' LEU . 2.0 mm-40 44.68 103.89 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.316 -0.865 . . . . 0.0 109.79 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.662 ' O ' ' ND1' ' A' ' 127' ' ' HIS . 5.3 t-80 -122.53 77.3 1.41 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.129 -0.982 . . . . 0.0 109.394 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -80.76 -78.82 0.17 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.233 -0.917 . . . . 0.0 109.603 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -176.87 22.68 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.259 -0.901 . . . . 0.0 109.507 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -128.3 0.13 5.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.319 -0.863 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.441 ' O ' ' CG ' ' A' ' 132' ' ' HIS . 42.8 t60 -71.09 145.28 49.95 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.298 -0.876 . . . . 0.0 109.388 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . 0.441 ' CG ' ' O ' ' A' ' 131' ' ' HIS . 7.2 m-70 . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.586 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.475 ' H3 ' ' H ' ' A' ' 2' ' ' SER . 21.2 mtt . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.475 ' H ' ' H3 ' ' A' ' 1' ' ' MET . 62.8 p -106.16 54.65 0.68 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.228 -0.92 . . . . 0.0 109.663 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.531 ' O ' ' N ' ' A' ' 5' ' ' ASP . 18.2 t60 43.95 73.8 0.14 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.187 -0.945 . . . . 0.0 109.508 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.45 ' C ' ' H ' ' A' ' 6' ' ' ASP . 57.0 mt-30 -61.61 76.13 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.202 -0.936 . . . . 0.0 109.428 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 3' ' ' HIS . 0.6 OUTLIER -73.18 42.54 0.12 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.168 -0.957 . . . . 0.0 109.507 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.534 ' O ' ' C ' ' A' ' 7' ' ' TYR . 7.6 t0 -155.79 -27.67 0.1 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.22 -0.925 . . . . 0.0 109.456 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.534 ' C ' ' O ' ' A' ' 6' ' ' ASP . 6.8 m-85 36.1 67.7 0.29 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.24 -0.913 . . . . 0.0 109.481 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tp -134.95 78.16 1.72 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.302 -0.874 . . . . 0.0 109.476 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.32 -66.94 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.315 -0.866 . . . . 0.0 109.292 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.9 m -51.31 -24.7 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.252 -0.905 . . . . 0.0 109.288 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -74.67 -29.44 61.23 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.308 -0.87 . . . . 0.0 109.318 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -71.53 -55.41 7.88 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.353 -0.842 . . . . 0.0 109.351 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.407 ' H ' ' HG ' ' A' ' 13' ' ' LEU . 31.2 mt -49.83 -52.44 32.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.308 -0.87 . . . . 0.0 109.241 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.41 -37.27 50.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.334 -0.854 . . . . 0.0 109.502 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.51 -57.21 7.8 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.371 -0.83 . . . . 0.0 109.756 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 67.9 mt -47.77 -54.43 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.28 -0.888 . . . . 0.0 109.681 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.458 ' O ' ' OG1' ' A' ' 21' ' ' THR . 1.0 OUTLIER -65.63 -18.4 65.29 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.178 -0.951 . . . . 0.0 109.693 -179.706 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -66.41 -45.58 79.47 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.132 -0.98 . . . . 0.0 109.184 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -74.02 -55.1 6.54 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.383 -0.823 . . . . 0.0 109.508 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -53.87 -46.02 71.19 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.216 -0.928 . . . . 0.0 109.656 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 17' ' ' GLN . 37.7 m -55.39 -50.74 68.95 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.224 -0.922 . . . . 0.0 109.548 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.699 ' CG ' HH11 ' A' ' 22' ' ' ARG . 0.0 OUTLIER -53.19 -43.87 67.51 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.213 -0.929 . . . . 0.0 109.614 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -59.16 -47.95 83.41 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.217 -0.927 . . . . 0.0 109.682 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 95.0 mt -58.32 -67.13 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.23 -0.919 . . . . 0.0 109.608 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.458 HD13 ' H ' ' A' ' 25' ' ' ILE . 1.4 mp -46.08 -44.11 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.159 -0.963 . . . . 0.0 109.493 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.565 ' O ' ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -50.9 -65.94 0.47 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.284 -0.885 . . . . 0.0 109.478 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 26' ' ' GLN . . . -39.0 -45.11 1.16 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.257 -0.902 . . . . 0.0 109.549 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 mt -64.94 -31.81 73.22 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.27 -0.894 . . . . 0.0 109.726 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.565 ' N ' ' O ' ' A' ' 26' ' ' GLN . 1.5 mp -71.04 -54.78 9.96 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.106 -0.996 . . . . 0.0 109.466 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -60.15 -18.95 51.35 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.206 -0.933 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -80.56 -30.37 37.01 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.272 -0.893 . . . . 0.0 109.506 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.14 16.56 2.35 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.4 t -66.93 131.06 45.11 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -1.165 . . . . 0.0 109.448 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -103.19 146.23 32.06 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.366 -0.833 . . . . 0.0 109.393 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -71.63 -11.15 27.72 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.788 2.325 . . . . 0.0 112.316 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.42 ' C ' ' OD1' ' A' ' 36' ' ' ASP . 56.5 p30 -100.82 1.67 40.37 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.193 -0.942 . . . . 0.0 109.554 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.482 ' O ' ' CB ' ' A' ' 38' ' ' LEU . . . -80.71 -25.04 38.38 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.266 -0.896 . . . . 0.0 109.464 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.482 ' CB ' ' O ' ' A' ' 37' ' ' ALA . 1.2 tp 73.98 140.9 0.06 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.189 -0.945 . . . . 0.0 109.202 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.445 ' CD1' ' HB2' ' A' ' 92' ' ' LEU . 10.4 m-85 -127.12 164.85 20.69 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.273 -0.892 . . . . 0.0 109.753 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -111.31 101.2 9.69 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.292 -0.88 . . . . 0.0 109.312 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.9 mm -74.85 131.12 35.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.267 -0.895 . . . . 0.0 109.584 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 119' ' ' GLY . 9.0 pt-20 -123.0 118.25 27.35 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.247 -0.908 . . . . 0.0 109.529 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.48 ' CD2' ' CD1' ' A' ' 104' ' ' LEU . 87.8 m-70 -103.55 155.51 18.48 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.256 -0.902 . . . . 0.0 109.48 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.489 ' CD2' ' SG ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER -133.25 104.88 6.68 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.243 -0.91 . . . . 0.0 109.549 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 mp -115.65 152.15 33.68 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.294 -0.878 . . . . 0.0 109.237 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.693 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -133.8 163.82 28.63 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.09 -1.006 . . . . 0.0 109.845 -179.716 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.13 176.67 10.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.372 -0.83 . . . . 0.0 109.284 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -112.69 -28.83 7.65 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.161 -0.962 . . . . 0.0 109.419 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 50' ' ' PHE . 1.2 m-20 -98.66 100.63 11.88 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.261 -0.899 . . . . 0.0 109.535 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' A' ' 49' ' ' ASP . 71.2 t80 -41.86 -42.96 2.86 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.182 -0.948 . . . . 0.0 109.452 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -60.32 3.57 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.189 -0.944 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.439 ' HB2' ' HZ2' ' A' ' 52' ' ' LYS . 0.1 OUTLIER -57.36 -21.86 38.52 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.288 -0.882 . . . . 0.0 109.406 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.3 tt -69.09 -53.49 20.04 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.228 -0.92 . . . . 0.0 109.495 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.425 ' O ' ' CG2' ' A' ' 58' ' ' VAL . 1.8 mm-40 -63.1 -23.97 67.69 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.283 -0.885 . . . . 0.0 109.329 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -69.03 -60.8 2.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.285 -0.884 . . . . 0.0 109.227 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.23 86.75 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.23 -0.919 . . . . 0.0 109.227 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.5 -48.9 76.19 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.265 -0.897 . . . . 0.0 109.122 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' A' ' 54' ' ' GLU . 11.0 t -55.14 -46.75 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.241 -0.912 . . . . 0.0 109.227 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.548 ' O ' ' OE1' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -63.39 -34.42 77.7 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.286 -0.884 . . . . 0.0 109.335 179.857 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.498 ' O ' ' C ' ' A' ' 61' ' ' PHE . . . -69.75 -64.82 0.81 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.265 -0.897 . . . . 0.0 109.374 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.498 ' C ' ' O ' ' A' ' 60' ' ' ALA . 62.8 t80 -40.17 -39.43 0.91 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.26 -0.9 . . . . 0.0 109.167 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -65.32 -46.76 79.02 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.272 -0.893 . . . . 0.0 109.299 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 60' ' ' ALA . 7.5 tpp -45.75 -42.95 12.58 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.367 -0.833 . . . . 0.0 109.39 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.4 8.78 0.7 Allowed Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.755 ' CZ ' ' SD ' ' A' ' 88' ' ' MET . 8.9 m-85 -94.1 164.42 13.07 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.267 -1.137 . . . . 0.0 109.482 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.471 ' HB3' ' HG1' ' A' ' 87' ' ' THR . 0.6 OUTLIER -106.47 94.8 5.34 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.372 -0.83 . . . . 0.0 109.279 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 14.1 p -61.58 134.69 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.249 -0.907 . . . . 0.0 109.606 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.656 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -111.54 141.46 45.09 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.302 -0.874 . . . . 0.0 109.36 179.821 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 68' ' ' LEU . 5.9 mm-40 -44.39 158.37 0.05 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.272 -0.893 . . . . 0.0 109.445 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.96 177.67 5.03 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.238 -0.914 . . . . 0.0 109.534 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.597 ' O ' ' N ' ' A' ' 73' ' ' THR . 6.2 tt0 -144.09 106.98 4.47 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.202 -0.936 . . . . 0.0 109.491 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.525 ' C ' ' O ' ' A' ' 71' ' ' GLU . 14.1 mt-10 -36.33 93.81 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.275 -0.891 . . . . 0.0 109.292 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.597 ' N ' ' O ' ' A' ' 71' ' ' GLU . 7.9 t -111.01 -161.33 0.75 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.249 -0.907 . . . . 0.0 109.753 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.616 ' C ' ' H ' ' A' ' 76' ' ' GLU . 12.7 pt-20 -163.5 148.21 10.89 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.256 -0.902 . . . . 0.0 109.428 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.646 ' C ' ' H ' ' A' ' 77' ' ' ASP . 38.5 t0 -68.35 32.3 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.143 -0.973 . . . . 0.0 109.294 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.616 ' H ' ' C ' ' A' ' 74' ' ' GLU . 6.5 tt0 57.02 -2.7 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.336 -0.853 . . . . 0.0 109.294 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.646 ' H ' ' C ' ' A' ' 75' ' ' ASP . 0.4 OUTLIER -89.19 -19.33 25.58 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.306 -0.871 . . . . 0.0 109.412 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.497 ' C ' ' OD1' ' A' ' 79' ' ' ASN . . . 108.81 51.63 0.69 Allowed Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.681 ' N ' ' OD1' ' A' ' 79' ' ' ASN . 0.3 OUTLIER -127.53 -162.81 1.2 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.339 -1.095 . . . . 0.0 109.372 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.36 126.74 11.49 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.281 -0.887 . . . . 0.0 109.411 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.45 146.36 13.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.257 -0.902 . . . . 0.0 109.599 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.452 HD13 ' N ' ' A' ' 82' ' ' LEU . 7.0 mp -84.69 137.18 33.39 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.289 -0.882 . . . . 0.0 109.29 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.489 ' SG ' ' CD2' ' A' ' 44' ' ' HIS . 23.6 t -129.28 101.25 5.91 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.182 -0.949 . . . . 0.0 109.772 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.55 ' N ' ' CD1' ' A' ' 84' ' ' PHE . 2.5 p90 -91.97 146.14 23.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.189 -0.945 . . . . 0.0 108.941 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.656 ' O ' ' N ' ' A' ' 68' ' ' LEU . 2.6 t70 -106.67 156.52 18.53 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.26 -0.9 . . . . 0.0 110.112 -179.307 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -127.4 152.65 47.24 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.471 ' HG1' ' HB3' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -130.31 147.0 51.98 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.048 -1.033 . . . . 0.0 109.967 -179.682 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.755 ' SD ' ' CZ ' ' A' ' 65' ' ' PHE . 3.4 ttt -154.79 104.81 2.54 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.411 -0.806 . . . . 0.0 109.306 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.03 113.14 7.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.268 -0.895 . . . . 0.0 109.488 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 24.4 p -141.82 -179.45 6.2 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.203 -0.936 . . . . 0.0 109.455 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.39 -175.11 0.76 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.236 -0.915 . . . . 0.0 109.542 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.445 ' HB2' ' CD1' ' A' ' 39' ' ' TYR . 40.7 tp -113.45 102.38 10.26 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.301 -0.875 . . . . 0.0 109.4 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -160.85 143.07 12.51 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.256 -0.903 . . . . 0.0 109.513 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.9 -50.31 50.71 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.306 -0.871 . . . . 0.0 109.517 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.43 ' O ' ' OE2' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -52.37 -51.05 61.02 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.247 -0.908 . . . . 0.0 109.35 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.61 -35.6 76.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.316 -0.865 . . . . 0.0 109.316 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 16.5 mt -71.67 -21.14 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.373 -0.829 . . . . 0.0 109.531 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -77.53 -37.24 51.3 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.261 -0.899 . . . . 0.0 109.234 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.43 ' OE2' ' O ' ' A' ' 95' ' ' LYS . 0.7 OUTLIER -68.63 -48.36 64.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.201 -0.937 . . . . 0.0 109.336 179.805 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.749 ' N ' HE21 ' A' ' 100' ' ' GLN . 0.0 OUTLIER -61.13 -51.78 67.63 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.263 -0.898 . . . . 0.0 109.026 179.717 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 78.7 t -60.89 -27.63 41.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.358 -0.839 . . . . 0.0 109.185 179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -64.11 -42.8 96.73 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.286 -0.884 . . . . 0.0 109.157 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -63.07 -45.05 93.99 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.288 -0.882 . . . . 0.0 109.046 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.48 ' CD1' ' CD2' ' A' ' 43' ' ' HIS . 38.9 mt -65.64 -28.36 69.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.343 -0.848 . . . . 0.0 109.487 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.9 t -71.92 -57.31 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.264 -0.898 . . . . 0.0 109.588 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -61.93 -51.46 68.02 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.324 -0.86 . . . . 0.0 109.944 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.84 -46.27 74.6 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.152 -0.968 . . . . 0.0 109.761 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.79 -51.04 71.44 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.203 -0.936 . . . . 0.0 109.91 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.63 -22.63 67.02 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.155 -0.966 . . . . 0.0 109.731 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -78.71 -24.42 44.95 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.13 -0.981 . . . . 0.0 109.395 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.587 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 7.0 m-85 -95.19 -72.72 0.61 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.281 -0.887 . . . . 0.0 109.32 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.587 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 1.2 m-20 158.99 34.04 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.326 -0.858 . . . . 0.0 109.479 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.1 pt -125.08 168.85 17.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.211 -0.931 . . . . 0.0 109.247 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.2 tt -111.58 151.37 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.149 -0.97 . . . . 0.0 109.588 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.619 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 14.3 t80 -116.98 96.05 5.28 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.292 -0.88 . . . . 0.0 109.345 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -150.7 87.14 1.41 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.209 -0.932 . . . . 0.0 109.578 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 156.44 70.11 0.01 OUTLIER Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 7.7 p-90 -116.12 159.8 21.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.223 -1.163 . . . . 0.0 109.536 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.43 ' O ' ' CG ' ' A' ' 42' ' ' GLU . . . -167.81 169.95 41.56 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 5.0 t -136.64 138.53 41.24 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.238 -1.154 . . . . 0.0 109.41 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -89.75 149.03 22.91 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.29 -0.881 . . . . 0.0 109.675 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.678 ' CD2' ' O ' ' A' ' 123' ' ' GLU . 44.8 t80 -110.06 165.43 11.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.217 -0.927 . . . . 0.0 109.486 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.678 ' O ' ' CD2' ' A' ' 122' ' ' TYR . 21.0 mt-10 -77.62 -173.25 2.9 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.27 -0.894 . . . . 0.0 109.497 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 93.74 -163.75 26.1 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.401 ' O ' ' CB ' ' A' ' 126' ' ' GLU . 10.3 mt 60.49 60.39 1.99 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.108 -1.23 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 125' ' ' LEU . 0.7 OUTLIER 68.72 77.55 0.23 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.313 -0.867 . . . . 0.0 109.14 -179.711 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 28.4 t60 -157.68 91.18 1.13 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.182 -0.949 . . . . 0.0 109.588 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.684 ' N ' ' ND1' ' A' ' 128' ' ' HIS . 0.1 OUTLIER -111.34 127.17 55.56 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.186 -0.946 . . . . 0.0 109.477 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.782 ' CG ' ' H ' ' A' ' 130' ' ' HIS . 57.6 t-80 -91.87 -173.35 3.47 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.29 -0.882 . . . . 0.0 109.564 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.782 ' H ' ' CG ' ' A' ' 129' ' ' HIS . 2.6 t60 -59.37 166.17 2.42 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.279 -0.888 . . . . 0.0 109.524 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.69 -84.44 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.229 -0.919 . . . . 0.0 109.418 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 17.1 m170 . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.513 -179.848 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 tpt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.414 ' H ' ' HG ' ' A' ' 2' ' ' SER . 0.0 OUTLIER -89.71 -167.61 1.91 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.278 -0.889 . . . . 0.0 109.413 -179.909 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -139.38 121.03 15.26 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.333 -0.855 . . . . 0.0 109.361 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 47.43 24.52 0.49 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.187 -0.946 . . . . 0.0 109.22 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.545 ' O ' ' N ' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -149.23 108.06 3.86 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.267 -0.896 . . . . 0.0 109.342 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.577 ' C ' ' CG ' ' A' ' 7' ' ' TYR . 2.0 m-20 -49.44 89.63 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.243 -0.91 . . . . 0.0 109.729 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.577 ' CG ' ' C ' ' A' ' 6' ' ' ASP . 0.5 OUTLIER 37.76 -163.35 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.245 -0.91 . . . . 0.0 109.646 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mt -135.38 99.64 4.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.266 -0.896 . . . . 0.0 109.576 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.564 ' O ' ' N ' ' A' ' 11' ' ' GLU . 1.9 p -167.49 -89.55 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.274 -0.891 . . . . 0.0 109.34 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.452 ' O ' ' CD1' ' A' ' 14' ' ' ILE . 2.5 m -40.28 -24.57 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.177 -0.952 . . . . 0.0 109.269 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.564 ' N ' ' O ' ' A' ' 9' ' ' SER . 43.9 tt0 -71.88 -53.32 13.56 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.322 -0.861 . . . . 0.0 109.562 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.81 -58.55 6.47 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.271 -0.893 . . . . 0.0 109.723 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.442 ' N ' HD21 ' A' ' 13' ' ' LEU . 6.2 mt -46.68 -46.2 19.9 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.305 -0.872 . . . . 0.0 109.971 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.452 ' CD1' ' O ' ' A' ' 10' ' ' VAL . 41.3 mt -57.66 -69.26 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.202 -0.936 . . . . 0.0 109.779 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.512 ' OE2' ' O ' ' A' ' 11' ' ' GLU . 0.7 OUTLIER -44.92 -41.54 7.3 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.155 -0.966 . . . . 0.0 109.763 -179.77 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.0 mt -61.07 -43.57 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.218 -0.926 . . . . 0.0 109.808 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -73.25 -13.58 61.17 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.192 -0.943 . . . . 0.0 109.738 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' CE ' ' OD2' ' A' ' 98' ' ' ASP . 15.2 mttt -78.7 -42.23 28.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.2 -0.938 . . . . 0.0 109.571 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -74.34 -43.47 56.46 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.24 -0.913 . . . . 0.0 109.53 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -60.94 -51.99 66.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.238 -0.913 . . . . 0.0 109.571 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.48 ' O ' ' C ' ' A' ' 22' ' ' ARG . 30.9 m -54.93 -59.47 4.69 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.242 -0.912 . . . . 0.0 109.703 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 21' ' ' THR . 0.5 OUTLIER -39.48 -49.91 2.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.243 -0.911 . . . . 0.0 109.61 -179.804 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -55.14 -43.54 74.28 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.2 -0.938 . . . . 0.0 109.723 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 25' ' ' ILE . 62.4 mt -65.02 -63.41 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.309 -0.87 . . . . 0.0 109.786 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.457 ' N ' HD12 ' A' ' 25' ' ' ILE . 5.6 mm -42.52 -50.37 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.199 -0.938 . . . . 0.0 109.703 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -57.68 -56.47 21.47 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.2 -0.937 . . . . 0.0 109.353 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.03 -51.25 13.96 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.322 -0.861 . . . . 0.0 109.647 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.575 ' O ' ' N ' ' A' ' 31' ' ' ASP . 7.9 mp -52.25 -61.47 2.25 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.173 -0.955 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 28' ' ' LEU . 2.6 mt -43.13 -49.52 6.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.224 -0.923 . . . . 0.0 109.192 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.88 -24.66 58.65 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.273 -0.892 . . . . 0.0 109.131 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.575 ' N ' ' O ' ' A' ' 28' ' ' LEU . 15.0 m-20 -81.25 -13.67 58.26 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.34 -0.85 . . . . 0.0 109.227 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.49 ' O ' ' OD1' ' A' ' 34' ' ' ASP . . . 93.34 13.09 56.48 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.729 -1.348 . . . . 0.0 109.729 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.2 t -61.98 84.89 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.149 -1.207 . . . . 0.0 109.405 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.49 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -50.14 131.9 23.72 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.232 -0.917 . . . . 0.0 109.406 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -71.38 -4.18 14.45 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 C-N-CA 122.507 2.138 . . . . 0.0 112.073 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -83.97 -5.43 59.22 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.332 -0.855 . . . . 0.0 109.405 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.57 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -91.77 7.96 39.35 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.194 -0.941 . . . . 0.0 109.641 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.57 ' O ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER 54.61 157.06 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.175 -0.953 . . . . 0.0 109.183 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -135.93 141.97 44.56 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.092 -1.005 . . . . 0.0 109.862 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -98.82 116.27 30.68 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.367 -0.833 . . . . 0.0 109.293 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mm -99.4 140.21 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.27 -0.894 . . . . 0.0 109.423 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -126.58 146.17 50.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.198 -0.939 . . . . 0.0 109.43 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.557 ' N ' ' CD2' ' A' ' 43' ' ' HIS . 2.2 m-70 -126.27 147.05 49.77 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.228 -0.92 . . . . 0.0 109.61 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -114.02 125.95 54.57 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.277 -0.89 . . . . 0.0 109.33 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.403 ' HB2' ' CE2' ' A' ' 84' ' ' PHE . 4.3 mp -133.83 136.2 44.28 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.209 -0.932 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.506 ' CD1' ' N ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -121.11 163.45 18.39 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.18 -0.95 . . . . 0.0 109.828 -179.788 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.82 179.99 7.08 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.43 -0.794 . . . . 0.0 109.447 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -122.38 -29.65 4.09 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.251 -0.906 . . . . 0.0 109.68 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.52 ' O ' ' C ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -107.7 101.17 10.5 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.177 -0.952 . . . . 0.0 109.619 -179.837 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.52 ' C ' ' O ' ' A' ' 49' ' ' ASP . 0.7 OUTLIER -34.61 -42.25 0.14 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.316 -0.865 . . . . 0.0 109.697 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -52.51 -76.12 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.156 -0.965 . . . . 0.0 109.38 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.39 -25.55 0.67 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.19 -0.943 . . . . 0.0 109.366 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.418 ' CD2' ' C ' ' A' ' 53' ' ' LEU . 3.3 tt -66.6 -55.98 12.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.36 -0.838 . . . . 0.0 109.566 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -60.96 -30.91 70.53 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.242 -0.912 . . . . 0.0 109.679 -179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -67.39 -59.42 3.41 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.136 -0.978 . . . . 0.0 109.587 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.54 -37.23 83.03 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.233 -0.917 . . . . 0.0 109.609 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.61 -48.75 76.03 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.209 -0.932 . . . . 0.0 109.607 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 41.0 t -54.45 -49.2 67.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.233 -0.917 . . . . 0.0 109.656 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.535 ' O ' ' C ' ' A' ' 60' ' ' ALA . 2.0 tp10 -57.91 -62.73 1.6 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.22 -0.925 . . . . 0.0 109.623 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.535 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . -34.79 -43.85 0.2 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.344 -0.848 . . . . 0.0 109.675 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -68.18 -57.73 5.56 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.146 -0.971 . . . . 0.0 109.533 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.5 mtpt -50.63 -20.77 1.3 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.236 -0.915 . . . . 0.0 109.584 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.7 tpp -74.68 -52.37 11.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.087 -1.008 . . . . 0.0 109.445 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 151.19 36.78 0.03 OUTLIER Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.511 -1.435 . . . . 0.0 109.511 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.624 ' CE2' ' SD ' ' A' ' 88' ' ' MET . 10.6 m-85 -124.0 156.58 36.18 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.349 -1.089 . . . . 0.0 109.607 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 67' ' ' VAL . 75.0 mt-10 -96.0 70.69 2.88 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.299 -0.876 . . . . 0.0 109.18 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 66' ' ' GLU . 7.2 p -44.54 156.78 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.316 -0.865 . . . . 0.0 109.707 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.67 ' N ' ' O ' ' A' ' 85' ' ' ASP . 1.3 tp -138.08 136.22 36.57 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.397 -0.814 . . . . 0.0 109.247 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 68' ' ' LEU . 5.6 mt-10 -44.55 162.65 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.157 -0.965 . . . . 0.0 109.611 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.421 ' HB1' ' H ' ' A' ' 83' ' ' CYS . . . -109.93 -179.92 3.93 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.26 -0.9 . . . . 0.0 109.465 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -135.11 -171.58 2.84 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.21 -0.931 . . . . 0.0 109.502 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -104.4 102.44 12.1 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.258 -0.901 . . . . 0.0 109.436 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.0 t -123.17 -154.28 0.6 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.251 -0.905 . . . . 0.0 109.658 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -152.93 135.12 14.91 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.236 -0.915 . . . . 0.0 109.343 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.513 ' C ' ' H ' ' A' ' 77' ' ' ASP . 5.2 t70 -78.93 172.72 13.39 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.237 -0.915 . . . . 0.0 109.519 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.58 4.36 0.4 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.236 -0.915 . . . . 0.0 109.415 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.513 ' H ' ' C ' ' A' ' 75' ' ' ASP . 16.2 t70 -96.8 -27.69 14.6 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.281 -0.887 . . . . 0.0 109.571 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.52 45.1 2.38 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -134.26 129.84 36.23 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.254 -1.145 . . . . 0.0 109.668 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -68.56 137.03 53.98 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.277 -0.889 . . . . 0.0 109.35 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.439 ' N ' HD12 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -154.93 -163.54 1.59 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.196 -0.94 . . . . 0.0 109.581 -179.908 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.4 mp -126.62 143.07 51.34 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.249 -0.907 . . . . 0.0 109.74 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.421 ' H ' ' HB1' ' A' ' 70' ' ' ALA . 7.8 m -135.36 109.85 8.51 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.412 -0.805 . . . . 0.0 109.67 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.627 ' N ' ' CD1' ' A' ' 84' ' ' PHE . 1.0 OUTLIER -97.43 154.49 17.44 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.269 -0.895 . . . . 0.0 109.231 179.631 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.67 ' O ' ' N ' ' A' ' 68' ' ' LEU . 10.0 t70 -116.85 159.33 22.54 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.189 -0.944 . . . . 0.0 109.765 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -137.68 142.94 41.09 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.368 -0.833 . . . . 0.0 109.153 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.47 152.09 35.75 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.188 -0.945 . . . . 0.0 109.726 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.624 ' SD ' ' CE2' ' A' ' 65' ' ' PHE . 7.6 ttt -148.9 140.08 23.13 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.43 -0.794 . . . . 0.0 109.145 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.615 ' N ' ' CD ' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -107.78 116.24 31.59 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.093 -1.004 . . . . 0.0 109.573 -179.862 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.452 ' HG ' ' N ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -150.8 155.76 39.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.25 -0.906 . . . . 0.0 109.284 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.452 ' N ' ' HG ' ' A' ' 90' ' ' SER . . . -61.69 155.81 21.71 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.173 -0.954 . . . . 0.0 109.278 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.6 tp -72.53 98.74 2.36 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.188 -0.945 . . . . 0.0 109.444 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -146.0 127.69 15.24 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.145 -0.972 . . . . 0.0 109.607 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.9 -34.06 77.26 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.188 -0.945 . . . . 0.0 109.266 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -57.96 -51.28 70.31 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.303 -0.873 . . . . 0.0 109.184 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 98' ' ' ASP . 8.6 tp -64.04 -68.5 0.35 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.284 -0.885 . . . . 0.0 109.11 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.535 ' C ' ' O ' ' A' ' 96' ' ' LEU . 91.6 mt -36.4 -32.51 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.257 -0.902 . . . . 0.0 109.22 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.535 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -66.65 -56.45 10.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.264 -0.898 . . . . 0.0 109.297 179.908 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -63.56 -37.31 86.84 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.266 -0.896 . . . . 0.0 109.149 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -58.33 -53.58 56.74 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.33 -0.856 . . . . 0.0 109.137 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' A' ' 102' ' ' GLU . 21.1 t -66.09 -58.88 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.361 -0.837 . . . . 0.0 109.329 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 101' ' ' VAL . 21.8 tt0 -39.5 -32.72 0.13 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.212 -0.93 . . . . 0.0 109.335 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 101' ' ' VAL . 3.2 mmtt -76.13 -60.6 2.26 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.279 -0.888 . . . . 0.0 109.229 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 27.8 mt -50.38 -23.72 2.56 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.279 -0.888 . . . . 0.0 109.332 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 78.1 t -75.29 -61.2 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.327 -0.858 . . . . 0.0 109.376 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -49.88 -47.71 51.79 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.174 -0.954 . . . . 0.0 109.271 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 108' ' ' ALA . 0.8 OUTLIER -57.29 -57.5 12.34 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.229 -0.919 . . . . 0.0 109.464 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.454 ' C ' ' O ' ' A' ' 107' ' ' LEU . . . -41.44 -62.41 0.87 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.132 -0.98 . . . . 0.0 109.562 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -55.3 -38.4 68.6 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.319 -0.863 . . . . 0.0 109.717 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.4 tttp -50.37 -35.68 29.09 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.152 -0.968 . . . . 0.0 109.652 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 77.8 m-85 -96.54 -77.12 0.49 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.23 -0.919 . . . . 0.0 109.725 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.7 OUTLIER 166.02 32.42 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.252 -0.905 . . . . 0.0 109.601 -179.911 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 25.1 pt -115.94 174.85 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.222 -0.924 . . . . 0.0 109.281 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.415 HG13 ' N ' ' A' ' 115' ' ' TYR . 0.6 OUTLIER -118.22 146.15 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.248 -0.907 . . . . 0.0 109.751 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.692 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 1.3 t80 -114.88 100.11 7.97 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.438 -0.789 . . . . 0.0 108.959 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -150.84 82.87 1.34 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.18 -0.95 . . . . 0.0 109.642 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 161.54 73.06 0.02 OUTLIER Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.739 -1.345 . . . . 0.0 109.739 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 5.4 p-90 -118.02 155.8 29.67 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.208 -1.172 . . . . 0.0 109.341 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 170.97 156.14 11.25 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 5.3 t -113.35 176.55 4.97 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.258 -1.142 . . . . 0.0 109.486 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.517 ' O ' ' C ' ' A' ' 122' ' ' TYR . 0.7 OUTLIER -105.54 122.28 45.69 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.185 -0.947 . . . . 0.0 109.545 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.517 ' C ' ' O ' ' A' ' 121' ' ' TYR . 21.9 t80 -36.86 142.51 0.1 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.218 -0.926 . . . . 0.0 109.488 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.13 127.68 35.73 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.285 -0.884 . . . . 0.0 109.562 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 126' ' ' GLU . . . 76.78 68.67 1.49 Allowed Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.691 -1.363 . . . . 0.0 109.691 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 12.1 mt -66.05 76.92 0.09 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.228 -1.16 . . . . 0.0 109.503 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 124' ' ' GLY . 10.0 mt-10 -95.42 -170.99 2.28 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.175 -0.953 . . . . 0.0 109.495 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.533 ' N ' ' ND1' ' A' ' 127' ' ' HIS . 0.3 OUTLIER -108.11 -56.88 2.18 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.242 -0.911 . . . . 0.0 109.546 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.463 ' ND1' ' HB2' ' A' ' 127' ' ' HIS . 16.2 m80 -101.56 -160.44 0.79 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.185 -0.947 . . . . 0.0 109.532 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -140.58 -45.61 0.41 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.337 -0.852 . . . . 0.0 109.149 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.596 ' N ' ' ND1' ' A' ' 130' ' ' HIS . 0.1 OUTLIER -88.25 122.59 31.96 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.338 -0.852 . . . . 0.0 109.414 179.825 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.537 ' ND1' ' N ' ' A' ' 131' ' ' HIS . 5.5 p-80 -103.89 99.55 9.32 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.22 -0.925 . . . . 0.0 109.577 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 117.978 -1.011 . . . . 0.0 109.413 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.307 0.575 . . . . 0.0 109.52 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.453 ' O ' ' O ' ' A' ' 3' ' ' HIS . 3.2 m -152.96 138.95 18.14 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.304 -0.872 . . . . 0.0 109.23 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.453 ' O ' ' O ' ' A' ' 2' ' ' SER . 18.7 m170 46.76 -171.3 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.112 -0.993 . . . . 0.0 109.139 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -101.12 -46.06 5.19 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.172 -0.955 . . . . 0.0 109.477 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -96.59 107.18 19.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.17 -0.956 . . . . 0.0 109.464 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.636 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 0.4 OUTLIER -86.31 -169.87 2.83 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.297 -0.877 . . . . 0.0 109.393 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -115.34 117.27 29.96 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.249 -0.907 . . . . 0.0 109.619 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.643 ' CD2' ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -105.1 170.78 7.67 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.237 -0.914 . . . . 0.0 109.418 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.56 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.9 OUTLIER -166.84 95.44 0.51 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.156 -0.965 . . . . 0.0 109.573 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.497 ' C ' ' O ' ' A' ' 9' ' ' SER . 33.9 m -39.2 -26.88 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.187 -0.945 . . . . 0.0 109.156 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -71.78 -59.7 2.61 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.328 -0.857 . . . . 0.0 109.327 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.457 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 5.2 pt-20 -58.32 -29.55 65.99 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.143 -0.973 . . . . 0.0 109.172 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 14' ' ' ILE . 77.5 mt -72.83 -61.82 1.67 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.194 -0.941 . . . . 0.0 108.979 179.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' LEU . 10.5 mt -43.74 -43.83 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.435 -0.791 . . . . 0.0 109.321 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -56.08 -58.43 7.95 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.209 -0.932 . . . . 0.0 109.192 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.9 mt -51.06 -51.41 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.318 -0.864 . . . . 0.0 109.387 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.53 -48.09 66.3 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.296 -0.878 . . . . 0.0 109.389 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.17 -47.66 71.76 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.163 -0.961 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 20' ' ' GLU . 1.7 mm-40 -56.48 -68.73 0.19 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.289 -0.882 . . . . 0.0 109.45 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' A' ' 21' ' ' THR . 40.2 mt-10 -43.61 -63.33 0.86 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.265 -0.897 . . . . 0.0 109.143 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.504 ' O ' ' C ' ' A' ' 22' ' ' ARG . 9.0 m -38.91 -66.97 0.24 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.32 -0.862 . . . . 0.0 109.35 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.504 ' C ' ' O ' ' A' ' 21' ' ' THR . 0.6 OUTLIER -38.8 -48.82 1.57 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.233 -0.917 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -55.81 -54.7 41.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.295 -0.878 . . . . 0.0 109.485 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.453 ' O ' ' C ' ' A' ' 25' ' ' ILE . 83.0 mt -58.11 -64.35 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.243 -0.91 . . . . 0.0 109.459 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.453 ' C ' ' O ' ' A' ' 24' ' ' ILE . 15.8 mm -41.27 -46.53 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.277 -0.89 . . . . 0.0 109.604 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -57.82 -43.0 85.48 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.279 -0.888 . . . . 0.0 109.747 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.64 -43.74 98.04 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.152 -0.968 . . . . 0.0 109.712 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.2 mt -60.7 -51.88 67.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.226 -0.921 . . . . 0.0 109.721 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.2 mt -56.68 -55.83 29.17 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.185 -0.947 . . . . 0.0 109.521 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -49.26 -28.56 4.8 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.346 -0.847 . . . . 0.0 109.434 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -72.72 -18.08 61.56 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.271 -0.893 . . . . 0.0 109.45 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.461 ' O ' ' O ' ' A' ' 33' ' ' SER . . . 79.43 37.73 23.26 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.59 ' OG ' ' N ' ' A' ' 34' ' ' ASP . 2.0 p -60.71 -143.4 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.268 -1.136 . . . . 0.0 109.465 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.59 ' N ' ' OG ' ' A' ' 33' ' ' SER . 0.6 OUTLIER -144.15 69.99 16.2 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.194 -0.942 . . . . 0.0 109.546 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -54.64 -8.3 1.2 Allowed 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.816 2.344 . . . . 0.0 112.141 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -83.59 -24.55 31.47 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.274 -0.891 . . . . 0.0 109.632 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.503 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -86.92 28.57 0.89 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.188 -0.945 . . . . 0.0 109.504 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.503 ' O ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER 55.14 162.51 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.169 -0.957 . . . . 0.0 109.251 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.429 ' H ' HD22 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -131.74 167.99 18.55 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.241 -0.912 . . . . 0.0 109.54 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -123.19 124.79 43.82 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.333 -0.854 . . . . 0.0 109.49 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.446 HG23 ' NE2' ' A' ' 43' ' ' HIS . 1.8 mp -104.6 154.16 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.21 -0.931 . . . . 0.0 109.37 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.403 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 17.2 tt0 -133.33 118.76 18.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.28 -0.887 . . . . 0.0 109.605 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.446 ' NE2' HG23 ' A' ' 41' ' ' ILE . 10.0 m-70 -102.06 152.48 20.93 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.361 -0.837 . . . . 0.0 109.36 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.457 ' CE1' ' OD1' ' A' ' 85' ' ' ASP . 0.2 OUTLIER -123.46 129.97 52.01 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.267 -0.895 . . . . 0.0 109.338 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 45' ' ' LEU . 5.7 mp -141.7 138.3 32.33 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.232 -0.917 . . . . 0.0 109.456 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.694 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -125.87 171.69 10.5 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.24 -0.912 . . . . 0.0 109.594 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.59 172.62 17.55 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.397 -0.814 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -112.75 -23.5 10.13 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.297 -0.877 . . . . 0.0 109.326 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.52 ' O ' ' C ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -102.38 91.9 4.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.268 -0.895 . . . . 0.0 109.264 179.868 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.701 ' CD1' ' N ' ' A' ' 51' ' ' ASP . 1.3 p90 -37.16 -42.67 0.46 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.207 -0.933 . . . . 0.0 109.481 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.701 ' N ' ' CD1' ' A' ' 50' ' ' PHE . 54.3 t0 -55.14 -66.79 0.35 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.26 -0.9 . . . . 0.0 109.379 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.49 -32.74 28.49 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.165 -0.96 . . . . 0.0 109.272 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.6 tt -58.76 -52.24 66.56 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.261 -0.899 . . . . 0.0 109.476 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -57.12 -35.16 69.13 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.306 -0.871 . . . . 0.0 109.698 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -62.86 -68.39 0.34 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.194 -0.941 . . . . 0.0 110.003 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.45 -21.71 27.31 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.162 -0.961 . . . . 0.0 110.17 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.05 -51.59 10.07 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.041 -1.037 . . . . 0.0 109.68 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.9 t -59.1 -27.21 35.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.323 -0.861 . . . . 0.0 109.873 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.61 -52.22 12.34 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.078 -1.014 . . . . 0.0 109.446 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.36 -42.35 81.88 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.195 -0.94 . . . . 0.0 109.395 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -65.2 -36.99 85.9 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.277 -0.89 . . . . 0.0 109.341 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -74.5 -17.76 60.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.276 -0.89 . . . . 0.0 109.456 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 5.5 ttm -76.4 -52.14 10.47 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.286 -0.883 . . . . 0.0 109.381 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 159.26 1.04 0.08 OUTLIER Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.431 -1.467 . . . . 0.0 109.431 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.452 ' CZ ' ' HE3' ' A' ' 88' ' ' MET . 54.0 m-85 -83.66 169.04 15.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.266 -1.137 . . . . 0.0 109.351 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -115.9 81.63 1.63 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.203 -0.936 . . . . 0.0 109.156 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.0 p -55.93 139.93 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.333 -0.855 . . . . 0.0 110.031 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.671 ' N ' ' O ' ' A' ' 85' ' ' ASP . 1.0 OUTLIER -118.87 140.07 50.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.413 -0.804 . . . . 0.0 108.886 179.597 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 68' ' ' LEU . 17.1 mt-10 -42.22 149.77 0.15 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.15 -0.969 . . . . 0.0 109.502 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -95.37 175.48 6.56 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.286 -0.884 . . . . 0.0 109.795 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.529 ' O ' ' C ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -132.32 98.09 4.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.432 -0.793 . . . . 0.0 109.413 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.529 ' C ' ' O ' ' A' ' 71' ' ' GLU . 19.3 mt-10 -36.8 109.18 0.09 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.262 -0.899 . . . . 0.0 109.485 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.466 ' CG2' ' SG ' ' A' ' 83' ' ' CYS . 8.9 t -140.38 -150.63 0.33 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.253 -0.904 . . . . 0.0 109.428 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -143.59 156.09 44.48 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.25 -0.906 . . . . 0.0 109.536 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.49 ' CG ' ' H ' ' A' ' 76' ' ' GLU . 17.4 t0 -95.63 -154.88 0.45 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.247 -0.908 . . . . 0.0 109.496 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.49 ' H ' ' CG ' ' A' ' 75' ' ' ASP . 28.5 tp10 -84.68 28.5 0.67 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.253 -0.904 . . . . 0.0 109.464 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.565 ' O ' ' OD1' ' A' ' 77' ' ' ASP . 1.6 t0 -131.61 -22.64 2.4 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.242 -0.911 . . . . 0.0 109.471 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 97.74 15.15 37.91 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -90.37 125.65 35.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.238 -1.154 . . . . 0.0 109.535 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -72.46 132.09 43.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.271 -0.893 . . . . 0.0 109.229 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.43 -169.3 3.1 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.172 -0.955 . . . . 0.0 109.737 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.6 mp -121.72 142.3 50.31 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.28 -0.887 . . . . 0.0 109.428 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.466 ' SG ' ' CG2' ' A' ' 73' ' ' THR . 0.0 OUTLIER -133.28 105.22 6.85 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.259 -0.901 . . . . 0.0 109.78 -179.853 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.616 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 1.0 OUTLIER -93.83 155.74 17.04 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.165 -0.959 . . . . 0.0 109.207 179.684 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.671 ' O ' ' N ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -111.67 147.56 35.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.213 -0.929 . . . . 0.0 109.877 -179.571 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -126.77 122.47 34.9 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.248 -0.908 . . . . 0.0 109.278 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.96 158.25 16.67 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.232 -0.917 . . . . 0.0 109.679 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.495 ' C ' ' NE2' ' A' ' 89' ' ' GLN . 2.1 ttm -159.5 142.41 14.08 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.243 -0.91 . . . . 0.0 109.484 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . 0.576 ' NE2' ' N ' ' A' ' 89' ' ' GLN . 2.1 mm-40 -92.4 121.08 33.53 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.129 -0.982 . . . . 0.0 109.326 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.81 154.23 38.1 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.284 -0.885 . . . . 0.0 109.534 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.14 152.71 43.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.207 -0.933 . . . . 0.0 109.489 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.1 tp -70.21 118.49 13.11 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.299 -0.876 . . . . 0.0 109.613 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -172.23 135.21 0.75 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.279 -0.888 . . . . 0.0 109.367 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.502 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -65.36 -68.74 0.34 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.252 -0.905 . . . . 0.0 109.458 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 94' ' ' ALA . 0.3 OUTLIER -37.12 -39.68 0.26 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.291 -0.88 . . . . 0.0 109.423 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.8 mp -60.61 -61.27 2.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.296 -0.878 . . . . 0.0 109.454 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 19.3 mt -55.02 -28.48 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.215 -0.928 . . . . 0.0 109.612 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -64.38 -54.5 31.87 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.199 -0.938 . . . . 0.0 109.385 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -61.22 -45.6 93.9 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.215 -0.928 . . . . 0.0 109.412 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -56.06 -59.17 5.29 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.204 -0.935 . . . . 0.0 109.449 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.447 ' O ' ' C ' ' A' ' 102' ' ' GLU . 97.9 t -50.27 -53.44 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.195 -0.941 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 101' ' ' VAL . 23.8 tt0 -41.58 -43.71 2.81 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.259 -0.901 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -66.88 -58.43 5.02 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.294 -0.879 . . . . 0.0 109.396 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 32.2 mt -50.56 -18.67 0.72 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.283 -0.885 . . . . 0.0 109.077 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 95.8 t -84.97 -69.21 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.388 -0.82 . . . . 0.0 109.229 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -47.47 -34.45 7.37 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.19 -0.944 . . . . 0.0 108.976 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.04 -51.76 23.47 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.416 -0.802 . . . . 0.0 109.186 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -53.78 -54.38 39.01 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.281 -0.887 . . . . 0.0 109.13 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -58.76 -29.95 67.17 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.357 -0.839 . . . . 0.0 109.357 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.72 -29.6 70.16 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.304 -0.872 . . . . 0.0 109.375 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.593 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 58.9 m-85 -100.63 -77.42 0.54 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.25 -0.906 . . . . 0.0 109.392 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.593 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 1.3 m-20 158.99 36.19 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.252 -0.905 . . . . 0.0 109.735 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 6.0 pt -114.64 156.15 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.077 -1.015 . . . . 0.0 109.449 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.464 HG22 ' CE2' ' A' ' 46' ' ' PHE . 1.0 OUTLIER -97.95 106.62 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.298 -0.876 . . . . 0.0 109.768 -179.581 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . 0.415 ' CE2' HG12 ' A' ' 101' ' ' VAL . 2.5 t80 -85.29 109.19 18.19 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.187 -0.945 . . . . 0.0 109.228 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.482 ' C ' ' OD1' ' A' ' 116' ' ' ASP . 36.6 t0 -164.57 85.1 0.42 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.188 -0.945 . . . . 0.0 109.467 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 160.75 72.69 0.02 OUTLIER Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 7.1 p-90 -118.04 143.76 46.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.241 -1.152 . . . . 0.0 109.395 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -169.48 174.63 43.83 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.1 t -144.29 171.09 14.79 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.179 -1.189 . . . . 0.0 109.474 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.533 ' O ' ' C ' ' A' ' 122' ' ' TYR . 13.7 p90 -134.94 144.14 47.27 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.316 -0.865 . . . . 0.0 109.398 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.533 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.2 OUTLIER -34.38 122.05 0.5 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.31 -0.868 . . . . 0.0 109.612 -179.724 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -93.43 51.53 1.62 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.328 -0.858 . . . . 0.0 109.542 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -154.2 19.89 0.64 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.2 mt -137.43 103.55 5.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.168 -1.195 . . . . 0.0 109.445 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -147.57 -38.21 0.2 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.301 -0.875 . . . . 0.0 109.5 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -81.5 83.46 6.99 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.279 -0.888 . . . . 0.0 109.622 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . 0.508 ' C ' ' ND1' ' A' ' 128' ' ' HIS . 0.0 OUTLIER -81.13 -164.14 0.71 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.16 -0.963 . . . . 0.0 109.223 179.77 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.468 ' CG ' ' H ' ' A' ' 130' ' ' HIS . 1.7 t-80 -128.53 -132.09 0.22 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.138 -0.976 . . . . 0.0 109.474 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' HIS . . . . . 0.581 ' C ' ' CD2' ' A' ' 131' ' ' HIS . 61.7 t60 -107.54 96.86 6.7 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.247 -0.908 . . . . 0.0 109.516 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . 0.581 ' CD2' ' C ' ' A' ' 130' ' ' HIS . 27.2 m-70 -153.84 162.22 41.41 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.208 -0.932 . . . . 0.0 109.484 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 117.937 -1.03 . . . . 0.0 109.409 179.93 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -73.69 -56.15 5.37 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.262 -0.899 . . . . 0.0 109.48 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.472 ' N ' HD23 ' A' ' 13' ' ' LEU . 4.1 mt -51.14 -43.6 61.23 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.217 -0.927 . . . . 0.0 109.43 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.2 mt -58.38 -47.03 89.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.285 -0.884 . . . . 0.0 109.38 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.74 -59.43 5.03 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.287 -0.883 . . . . 0.0 109.355 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.517 ' O ' ' C ' ' A' ' 17' ' ' GLN . 67.6 mt -45.92 -75.53 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.276 -0.89 . . . . 0.0 109.548 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.525 ' O ' ' OG1' ' A' ' 21' ' ' THR . 1.3 tp60 -35.93 -35.41 0.07 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.31 -0.869 . . . . 0.0 109.542 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 16' ' ' ILE . 1.0 OUTLIER -57.18 -58.68 7.16 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.172 -0.955 . . . . 0.0 109.563 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 20' ' ' GLU . 9.9 tt0 -65.32 -62.84 1.3 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.27 -0.894 . . . . 0.0 109.509 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.483 ' O ' ' C ' ' A' ' 21' ' ' THR . 12.1 mt-10 -40.05 -67.39 0.23 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.243 -0.911 . . . . 0.0 109.638 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.525 ' OG1' ' O ' ' A' ' 17' ' ' GLN . 10.0 m -38.31 -61.13 0.71 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.186 -0.946 . . . . 0.0 109.536 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' THR . 10.3 mmm180 -44.2 -52.89 7.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.249 -0.907 . . . . 0.0 109.42 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -49.73 -51.49 38.47 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.232 -0.918 . . . . 0.0 109.46 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.461 HD12 ' HZ2' ' A' ' 118' ' ' TRP . 3.6 mt -57.81 -57.25 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.282 -0.886 . . . . 0.0 109.446 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.43 ' N ' HD13 ' A' ' 25' ' ' ILE . 8.1 mm -46.94 -40.22 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.265 -0.897 . . . . 0.0 109.37 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -57.62 -52.42 65.51 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.286 -0.883 . . . . 0.0 109.381 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.92 -55.07 37.37 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.237 -0.914 . . . . 0.0 109.352 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.48 -48.18 38.06 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.236 -0.915 . . . . 0.0 109.25 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.65 ' O ' ' N ' ' A' ' 32' ' ' GLY . 5.4 mt -62.39 -66.67 0.51 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.319 -0.863 . . . . 0.0 109.286 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.538 ' C ' ' O ' ' A' ' 29' ' ' LEU . 3.6 tt0 -36.19 -36.96 0.1 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.248 -0.908 . . . . 0.0 109.297 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' LEU . 10.0 t70 -58.42 -31.32 67.62 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.234 -0.916 . . . . 0.0 109.266 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.65 ' N ' ' O ' ' A' ' 29' ' ' LEU . . . 121.75 2.43 10.46 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.3 m -51.18 169.99 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.235 -1.156 . . . . 0.0 109.518 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -132.68 147.15 64.4 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.146 -0.971 . . . . 0.0 109.531 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -70.92 -15.88 32.71 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.714 2.276 . . . . 0.0 112.223 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.64 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -94.82 -7.01 41.56 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.234 -0.916 . . . . 0.0 109.362 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.563 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -69.9 -9.01 53.41 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.313 -0.867 . . . . 0.0 109.53 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.563 ' O ' ' O ' ' A' ' 37' ' ' ALA . 5.0 mt 56.75 125.33 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.256 -0.902 . . . . 0.0 109.266 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -117.79 147.92 42.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.244 -0.91 . . . . 0.0 109.827 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -98.95 109.32 22.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.338 -0.851 . . . . 0.0 109.128 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.462 HD13 ' N ' ' A' ' 41' ' ' ILE . 4.1 mm -76.45 145.81 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.213 -0.929 . . . . 0.0 109.679 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -126.28 139.23 53.48 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.339 -0.851 . . . . 0.0 109.45 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -135.24 132.66 38.12 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.261 -0.899 . . . . 0.0 109.411 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -101.35 131.3 47.48 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.155 -0.966 . . . . 0.0 109.57 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 mp -137.41 132.73 33.89 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.229 -0.919 . . . . 0.0 109.183 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.698 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -127.36 160.07 32.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.142 -0.974 . . . . 0.0 109.891 -179.776 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.503 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -139.83 177.22 8.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.408 -0.807 . . . . 0.0 109.589 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -113.61 -14.43 12.64 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.246 -0.909 . . . . 0.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.74 119.64 40.01 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.224 -0.922 . . . . 0.0 109.325 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -52.57 -41.77 63.88 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.209 -0.932 . . . . 0.0 109.446 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.452 ' OD1' ' C ' ' A' ' 51' ' ' ASP . 27.8 t0 -71.12 -60.78 2.05 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.276 -0.89 . . . . 0.0 109.494 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.95 -32.76 2.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.179 -0.95 . . . . 0.0 109.094 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.503 HD12 ' HB3' ' A' ' 47' ' ' ALA . 6.1 tt -63.98 -67.33 0.44 Allowed 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.469 -0.769 . . . . 0.0 109.382 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -51.37 -23.04 3.35 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.238 -0.914 . . . . 0.0 109.26 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.0 -60.06 2.44 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.301 -0.874 . . . . 0.0 109.341 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.08 -32.91 74.64 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.265 -0.897 . . . . 0.0 109.463 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.45 -33.92 76.12 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.316 -0.865 . . . . 0.0 109.459 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -68.66 -52.86 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.215 -0.928 . . . . 0.0 109.271 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -52.62 -56.08 17.92 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.161 -0.962 . . . . 0.0 109.322 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.03 -59.13 3.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.232 -0.917 . . . . 0.0 109.474 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.65 -26.3 55.82 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.269 -0.894 . . . . 0.0 109.626 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -67.46 -40.11 85.35 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.221 -0.924 . . . . 0.0 109.386 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 9.3 mtm -66.27 -56.18 12.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.227 -0.921 . . . . 0.0 109.405 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 158.32 49.36 0.01 OUTLIER Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.497 ' CZ ' ' SD ' ' A' ' 88' ' ' MET . 40.0 m-85 -123.96 132.36 53.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.201 -1.176 . . . . 0.0 109.523 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -72.39 78.22 1.02 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.22 -0.925 . . . . 0.0 109.481 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.7 p -57.61 140.07 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.262 -0.899 . . . . 0.0 109.485 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.629 ' N ' ' O ' ' A' ' 85' ' ' ASP . 1.8 tp -115.27 141.19 48.36 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.264 -0.898 . . . . 0.0 109.552 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -52.63 150.69 4.88 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.245 -0.91 . . . . 0.0 109.472 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.408 ' HB1' ' N ' ' A' ' 83' ' ' CYS . . . -96.5 179.92 4.84 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.31 -0.869 . . . . 0.0 109.599 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.538 ' O ' ' C ' ' A' ' 72' ' ' GLU . 8.2 tt0 -158.43 146.66 18.51 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.338 -0.851 . . . . 0.0 109.268 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.614 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -35.41 117.95 0.44 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.256 -0.903 . . . . 0.0 109.421 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.258 -0.901 . . . . 0.0 109.77 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.81 163.97 21.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.246 -0.908 . . . . 0.0 109.65 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 82' ' ' LEU . 7.5 mp -95.15 132.0 40.56 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.352 -0.843 . . . . 0.0 109.532 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.408 ' N ' ' HB1' ' A' ' 70' ' ' ALA . 37.0 t -134.06 108.32 8.27 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.245 -0.909 . . . . 0.0 110.084 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.63 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.7 OUTLIER -98.64 166.46 11.32 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.217 -0.927 . . . . 0.0 109.009 179.375 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.629 ' O ' ' N ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -125.57 153.89 43.01 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.153 -0.967 . . . . 0.0 109.924 -179.495 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -127.58 141.2 51.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.403 -0.811 . . . . 0.0 109.299 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.38 160.34 28.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.247 -0.908 . . . . 0.0 109.494 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.505 ' SD ' ' NE2' ' A' ' 100' ' ' GLN . 8.1 ttt -158.48 119.57 3.41 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.318 -0.864 . . . . 0.0 109.517 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -74.02 129.02 37.04 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.259 -0.901 . . . . 0.0 109.348 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.6 p -166.59 156.48 11.62 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.254 -0.904 . . . . 0.0 109.709 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.76 174.78 0.74 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.304 -0.872 . . . . 0.0 109.409 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.405 HD21 HG23 ' A' ' 25' ' ' ILE . 3.0 tp -92.88 100.29 12.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.291 -0.88 . . . . 0.0 109.298 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -145.49 137.47 25.48 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.184 -0.948 . . . . 0.0 109.528 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.454 ' O ' ' CG ' ' A' ' 98' ' ' ASP . . . -68.44 -39.0 81.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.213 -0.929 . . . . 0.0 109.294 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -61.36 -47.69 84.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.232 -0.917 . . . . 0.0 109.232 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 99' ' ' GLU . 5.0 tt -64.03 -61.69 2.11 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.289 -0.882 . . . . 0.0 109.218 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.438 ' O ' HG23 ' A' ' 101' ' ' VAL . 38.6 mt -46.03 -40.98 3.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.265 -0.897 . . . . 0.0 109.197 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.454 ' CG ' ' O ' ' A' ' 94' ' ' ALA . 45.0 m-20 -62.36 -34.74 77.27 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.294 -0.879 . . . . 0.0 109.234 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 96' ' ' LEU . 3.6 mm-40 -66.9 -52.98 36.68 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.293 -0.88 . . . . 0.0 109.519 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.505 ' NE2' ' SD ' ' A' ' 88' ' ' MET . 91.2 mt-30 -50.32 -36.3 31.32 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.156 -0.965 . . . . 0.0 109.292 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.54 HG13 ' CZ ' ' A' ' 115' ' ' TYR . 55.6 t -72.7 -33.2 43.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.29 -0.881 . . . . 0.0 109.472 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.457 ' O ' ' OD1' ' A' ' 106' ' ' ASN . 0.7 OUTLIER -68.93 -41.91 77.48 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.246 -0.909 . . . . 0.0 109.521 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.8 mttp -70.91 -47.84 56.92 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.149 -0.969 . . . . 0.0 109.627 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.438 ' HA ' HD23 ' A' ' 104' ' ' LEU . 48.4 mt -63.81 -34.34 77.69 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.211 -0.931 . . . . 0.0 109.568 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.415 HG22 ' CD2' ' A' ' 115' ' ' TYR . 4.9 t -70.58 -56.78 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.166 -0.959 . . . . 0.0 109.544 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.457 ' OD1' ' O ' ' A' ' 102' ' ' GLU . 2.0 m120 -55.04 -42.84 73.16 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.19 -0.943 . . . . 0.0 109.42 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.1 tt -66.76 -40.95 88.43 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.255 -0.903 . . . . 0.0 109.398 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.64 -54.96 41.19 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.251 -0.906 . . . . 0.0 109.578 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -65.78 -21.48 66.5 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.294 -0.879 . . . . 0.0 109.457 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -72.86 -27.43 61.91 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.27 -0.894 . . . . 0.0 109.627 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.508 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 8.3 m-85 -98.46 -76.97 0.52 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.217 -0.927 . . . . 0.0 109.651 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.508 ' OD1' ' O ' ' A' ' 111' ' ' PHE . 0.4 OUTLIER 166.08 33.43 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.105 -0.997 . . . . 0.0 109.634 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.5 pt -116.88 178.05 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.219 -0.926 . . . . 0.0 109.538 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.49 HD12 ' N ' ' A' ' 115' ' ' TYR . 0.2 OUTLIER -124.47 110.05 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.224 -0.922 . . . . 0.0 109.478 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.54 ' CZ ' HG13 ' A' ' 101' ' ' VAL . 1.1 t80 -89.98 117.12 28.54 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.246 -0.909 . . . . 0.0 109.257 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -158.86 73.62 0.62 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.178 -0.951 . . . . 0.0 109.661 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 171.58 95.49 0.1 OUTLIER Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.641 -1.383 . . . . 0.0 109.641 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.461 ' HZ2' HD12 ' A' ' 24' ' ' ILE . 1.2 p-90 -124.37 133.68 53.36 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.173 -1.192 . . . . 0.0 109.294 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -144.65 157.78 27.35 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.2 t -128.64 128.13 43.56 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.199 -1.177 . . . . 0.0 109.543 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.242 -0.911 . . . . 0.0 109.472 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -70.0 -40.42 75.28 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.294 -0.879 . . . . 0.0 109.532 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.9 mt -67.18 -43.22 82.73 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.253 -0.905 . . . . 0.0 109.71 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 15' ' ' GLU . 8.0 mt -62.76 -59.07 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.268 -0.895 . . . . 0.0 109.721 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 14' ' ' ILE . 4.1 tt0 -42.96 -57.96 2.62 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.253 -0.904 . . . . 0.0 109.611 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.8 mt -48.49 -47.03 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.191 -0.943 . . . . 0.0 109.593 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.512 ' O ' ' C ' ' A' ' 18' ' ' LYS . 3.3 mm100 -53.91 -65.74 0.52 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.208 -0.933 . . . . 0.0 109.532 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.512 ' C ' ' O ' ' A' ' 17' ' ' GLN . 31.3 mttt -35.16 -42.95 0.2 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.292 -0.88 . . . . 0.0 109.662 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.526 ' O ' ' C ' ' A' ' 20' ' ' GLU . 1.9 tt0 -72.54 -66.62 0.64 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.225 -0.922 . . . . 0.0 109.727 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.526 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -35.09 -46.8 0.35 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.254 -0.904 . . . . 0.0 109.608 -179.778 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.465 ' O ' ' C ' ' A' ' 22' ' ' ARG . 48.9 m -60.53 -58.92 6.44 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.236 -0.915 . . . . 0.0 109.235 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.736 ' CG ' HH11 ' A' ' 22' ' ' ARG . 0.0 OUTLIER -39.38 -52.22 2.06 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.253 -0.904 . . . . 0.0 109.506 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -57.23 -40.75 78.18 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.323 -0.861 . . . . 0.0 109.704 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 26' ' ' GLN . 68.1 mt -70.21 -66.69 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.242 -0.911 . . . . 0.0 109.669 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 24' ' ' ILE . 1.2 mp -45.16 -22.95 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.112 -0.992 . . . . 0.0 109.264 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' ILE . 5.0 mm-40 -71.75 -56.51 5.64 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.25 -0.906 . . . . 0.0 109.479 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.0 -41.1 77.83 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.245 -0.909 . . . . 0.0 109.615 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.5 mt -60.24 -49.34 77.99 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.222 -0.924 . . . . 0.0 109.447 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 29' ' ' LEU . 2.2 mm? -60.64 -37.99 83.35 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.226 -0.921 . . . . 0.0 109.39 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -60.52 -31.84 70.9 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.241 -0.912 . . . . 0.0 109.269 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -76.6 -37.64 56.12 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.259 -0.9 . . . . 0.0 109.482 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.56 ' O ' ' O ' ' A' ' 33' ' ' SER . . . 126.41 17.5 2.39 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.56 ' O ' ' O ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -34.51 156.73 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.22 -1.165 . . . . 0.0 109.596 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -125.37 86.69 56.74 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.183 -0.948 . . . . 0.0 109.593 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -52.67 -27.1 32.07 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.85 2.367 . . . . 0.0 112.286 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -65.37 -22.46 66.8 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.227 -0.92 . . . . 0.0 109.511 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.556 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -88.07 18.2 4.45 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.223 -0.923 . . . . 0.0 109.616 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.556 ' O ' ' O ' ' A' ' 37' ' ' ALA . 0.6 OUTLIER 56.25 150.85 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.135 -0.978 . . . . 0.0 109.473 179.846 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -128.37 152.69 47.88 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.331 -0.856 . . . . 0.0 109.326 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.437 ' O ' HD13 ' A' ' 41' ' ' ILE . 1.2 pm0 -107.59 146.72 31.55 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.225 -0.922 . . . . 0.0 109.603 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.437 HD13 ' O ' ' A' ' 40' ' ' GLU . 2.0 mm -122.43 145.38 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.309 -0.869 . . . . 0.0 109.203 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -120.3 111.3 17.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.169 -0.957 . . . . 0.0 109.606 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -100.21 142.33 31.84 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.204 -0.935 . . . . 0.0 109.461 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -121.45 124.59 44.83 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.258 -0.901 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 2.7 mp -131.01 148.12 52.71 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.224 -0.922 . . . . 0.0 109.484 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -132.9 155.83 48.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.24 -0.913 . . . . 0.0 109.745 -179.839 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.04 179.3 5.96 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.329 -0.857 . . . . 0.0 109.483 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -116.9 -21.09 9.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.263 -0.898 . . . . 0.0 109.276 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.643 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.4 t0 -127.01 109.89 12.38 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.352 -0.842 . . . . 0.0 109.228 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' A' ' 49' ' ' ASP . 17.9 t80 -41.15 -17.65 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.24 -0.913 . . . . 0.0 109.748 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.643 ' N ' ' O ' ' A' ' 49' ' ' ASP . 5.9 t70 -65.81 -77.5 0.06 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.169 -0.957 . . . . 0.0 109.636 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.531 ' HE2' ' H ' ' A' ' 49' ' ' ASP . 32.3 pttt -53.18 -32.61 48.79 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.195 -0.94 . . . . 0.0 109.393 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.68 ' C ' HD23 ' A' ' 53' ' ' LEU . 6.1 tt -51.48 -55.89 16.36 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.391 -0.818 . . . . 0.0 109.667 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.633 ' O ' HG23 ' A' ' 58' ' ' VAL . 18.2 tt0 -63.88 -53.03 56.87 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.211 -0.931 . . . . 0.0 109.547 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.42 ' HB3' ' CE1' ' A' ' 111' ' ' PHE . 7.6 mtpp -44.48 -47.85 10.03 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.206 -0.934 . . . . 0.0 109.705 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.515 ' O ' ' C ' ' A' ' 57' ' ' ALA . . . -72.0 -61.07 1.92 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.153 -0.967 . . . . 0.0 109.607 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 56' ' ' ALA . . . -35.59 -52.35 0.67 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.36 -0.837 . . . . 0.0 109.571 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 54' ' ' GLU . 14.6 t -59.01 -54.15 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.268 -0.895 . . . . 0.0 109.455 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -49.09 -41.29 35.05 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.239 -0.913 . . . . 0.0 109.351 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.3 -35.64 76.2 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.244 -0.91 . . . . 0.0 109.234 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -61.79 -52.29 64.81 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.287 -0.883 . . . . 0.0 109.298 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -55.59 -39.18 70.38 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.24 -0.912 . . . . 0.0 109.236 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 31.2 ttm -51.96 -57.63 8.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.265 -0.897 . . . . 0.0 109.385 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.656 ' O ' ' SD ' ' A' ' 88' ' ' MET . . . 149.6 31.9 0.05 OUTLIER Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.691 ' CD1' ' SD ' ' A' ' 88' ' ' MET . 10.2 m-85 -117.38 137.78 52.24 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.214 -1.168 . . . . 0.0 109.466 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.447 ' OE1' ' O ' ' A' ' 67' ' ' VAL . 1.3 tm-20 -82.08 84.01 7.14 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.178 -0.951 . . . . 0.0 109.362 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.55 HG22 ' N ' ' A' ' 68' ' ' LEU . 14.7 p -54.67 164.81 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.238 -0.914 . . . . 0.0 109.528 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.605 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -144.19 132.59 22.03 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.299 -0.875 . . . . 0.0 109.363 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.569 ' O ' ' O ' ' A' ' 68' ' ' LEU . 4.6 pt-20 -39.02 165.33 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.297 -0.877 . . . . 0.0 109.767 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.509 ' HB1' ' N ' ' A' ' 83' ' ' CYS . . . -116.71 158.94 23.01 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.362 -0.836 . . . . 0.0 109.426 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.472 ' N ' ' CD ' ' A' ' 71' ' ' GLU . 1.9 pm0 -118.22 147.43 43.41 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.284 -0.885 . . . . 0.0 109.455 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -64.38 114.69 4.46 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.2 -0.937 . . . . 0.0 109.629 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.8 t . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.23 -0.919 . . . . 0.0 109.377 179.834 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.2 mttt . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 121.326 0.584 . . . . 0.0 109.745 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.94 153.96 45.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.258 -0.901 . . . . 0.0 109.457 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.65 136.39 33.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.251 -0.906 . . . . 0.0 109.669 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.509 ' N ' ' HB1' ' A' ' 70' ' ' ALA . 17.7 p -128.21 107.88 10.15 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.327 -0.858 . . . . 0.0 109.625 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 2.2 p90 -94.0 165.52 12.61 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.221 -0.924 . . . . 0.0 109.426 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.605 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -121.74 156.96 32.01 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.218 -0.926 . . . . 0.0 109.795 -179.726 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -142.14 137.47 30.93 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.373 -0.83 . . . . 0.0 109.276 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -109.82 157.77 18.84 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.145 -0.972 . . . . 0.0 109.639 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.691 ' SD ' ' CD1' ' A' ' 65' ' ' PHE . 8.5 tpt -155.68 115.72 3.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.229 -0.919 . . . . 0.0 109.481 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -77.99 137.18 38.16 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.231 -0.918 . . . . 0.0 109.452 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.23 156.18 6.87 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.248 -0.908 . . . . 0.0 109.541 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.52 170.73 2.3 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.271 -0.893 . . . . 0.0 109.571 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 59.9 tp -92.33 92.18 8.03 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.298 -0.876 . . . . 0.0 109.538 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -153.26 126.28 8.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.329 -0.857 . . . . 0.0 109.374 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.53 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -49.21 -62.04 1.75 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.259 -0.901 . . . . 0.0 109.644 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.53 ' C ' ' O ' ' A' ' 94' ' ' ALA . 4.9 mtpt -34.95 -47.82 0.37 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.247 -0.908 . . . . 0.0 109.662 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 98' ' ' ASP . 8.4 mp -63.35 -69.89 0.24 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.193 -0.942 . . . . 0.0 109.586 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 96' ' ' LEU . 31.4 mt -41.75 -22.77 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.239 -0.913 . . . . 0.0 109.242 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -75.29 -45.69 38.21 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.419 -0.8 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 96' ' ' LEU . 1.0 OUTLIER -65.21 -45.2 85.72 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.335 -0.853 . . . . 0.0 109.437 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -60.14 -61.36 2.66 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.29 -0.881 . . . . 0.0 109.526 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.6 HG13 ' CZ ' ' A' ' 115' ' ' TYR . 89.0 t -55.12 -47.38 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.211 -0.931 . . . . 0.0 109.549 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.416 ' C ' ' OE1' ' A' ' 102' ' ' GLU . 0.2 OUTLIER -50.04 -35.07 23.56 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.144 -0.973 . . . . 0.0 109.132 179.798 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -56.3 7.82 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.288 -0.883 . . . . 0.0 109.067 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 97.7 mt -55.21 -22.74 18.92 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.371 -0.83 . . . . 0.0 109.414 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.5 t -73.97 -52.6 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.271 -0.893 . . . . 0.0 109.528 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -63.0 -39.98 96.39 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.234 -0.916 . . . . 0.0 109.594 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 108' ' ' ALA . 14.9 tp -65.95 -55.78 15.08 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.245 -0.909 . . . . 0.0 109.52 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.429 ' HB1' HG13 ' A' ' 113' ' ' ILE . . . -44.11 -54.97 5.09 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.233 -0.917 . . . . 0.0 109.716 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -67.48 -28.57 67.96 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.274 -0.891 . . . . 0.0 109.756 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -57.96 -32.71 68.11 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.202 -0.936 . . . . 0.0 109.473 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 15.2 m-85 -101.1 -74.89 0.6 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -0.907 . . . . 0.0 109.477 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.6 OUTLIER 166.9 32.72 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.195 -0.941 . . . . 0.0 109.683 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.429 HG13 ' HB1' ' A' ' 108' ' ' ALA . 32.2 pt -116.99 166.22 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.187 -0.945 . . . . 0.0 109.397 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -112.75 136.77 47.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.22 -0.925 . . . . 0.0 109.793 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.6 ' CZ ' HG13 ' A' ' 101' ' ' VAL . 0.6 OUTLIER -103.42 108.59 19.9 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.294 -0.879 . . . . 0.0 108.797 179.352 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 116' ' ' ASP . 2.2 t0 -150.0 82.53 1.38 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.13 -0.982 . . . . 0.0 109.692 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 161.14 87.97 0.07 OUTLIER Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 2.4 p-90 -128.59 138.02 52.0 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.231 -1.158 . . . . 0.0 109.14 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -153.65 165.42 31.5 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.8 t -120.91 158.89 26.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.25 -1.147 . . . . 0.0 109.44 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.173 -0.954 . . . . 0.0 109.406 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.174 0.511 . . . . 0.0 109.739 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.606 ' CG ' ' N ' ' A' ' 13' ' ' LEU . 6.3 pt-20 -53.24 -47.12 69.3 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.158 -0.964 . . . . 0.0 109.544 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.606 ' N ' ' CG ' ' A' ' 12' ' ' GLU . 84.7 mt -58.12 -44.55 87.8 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.225 -0.922 . . . . 0.0 109.522 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.0 mt -63.55 -38.83 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.262 -0.898 . . . . 0.0 109.568 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 18' ' ' LYS . 7.2 tm-20 -64.42 -67.09 0.46 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.327 -0.858 . . . . 0.0 109.548 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.469 ' C ' ' O ' ' A' ' 15' ' ' GLU . 11.3 mt -41.53 -66.94 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.275 -0.891 . . . . 0.0 109.329 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 16' ' ' ILE . 1.3 mt-30 -44.6 -31.51 1.16 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.203 -0.936 . . . . 0.0 109.131 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 4.3 ttmm -57.88 -53.79 54.2 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.261 -0.899 . . . . 0.0 109.055 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.523 ' O ' ' C ' ' A' ' 20' ' ' GLU . 12.2 mm-40 -73.45 -61.47 1.82 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.246 -0.909 . . . . 0.0 109.307 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.523 ' C ' ' O ' ' A' ' 19' ' ' GLU . 2.8 tt0 -36.88 -55.38 0.91 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.327 -0.858 . . . . 0.0 109.374 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.7 m -53.15 -59.86 4.01 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.234 -0.916 . . . . 0.0 109.319 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -44.98 -40.6 6.57 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.127 -0.983 . . . . 0.0 109.446 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -55.8 -49.0 74.41 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.278 -0.889 . . . . 0.0 109.741 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 26' ' ' GLN . 78.6 mt -64.93 -68.26 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.173 -0.954 . . . . 0.0 109.735 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.512 ' C ' ' O ' ' A' ' 24' ' ' ILE . 5.8 mm -36.96 -31.5 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.61 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.523 ' N ' ' O ' ' A' ' 24' ' ' ILE . 8.2 mm-40 -72.69 -45.43 58.89 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.215 -0.928 . . . . 0.0 109.733 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . -70.87 -33.9 71.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.197 -0.939 . . . . 0.0 109.684 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -56.02 8.08 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.272 -0.893 . . . . 0.0 109.488 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.05 -55.57 26.18 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.269 -0.895 . . . . 0.0 109.258 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -46.59 -43.83 17.6 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.175 -0.953 . . . . 0.0 109.077 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.25 -26.96 13.15 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.217 -0.927 . . . . 0.0 109.312 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 33' ' ' SER . . . 106.64 25.54 6.22 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.433 ' C ' ' OD1' ' A' ' 34' ' ' ASP . 2.0 p -53.13 -175.05 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.233 -1.157 . . . . 0.0 109.59 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.433 ' OD1' ' C ' ' A' ' 33' ' ' SER . 0.8 OUTLIER -136.31 91.61 16.44 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.29 -0.881 . . . . 0.0 109.391 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.41 ' C ' ' H ' ' A' ' 37' ' ' ALA . 19.5 Cg_exo -61.69 -30.7 85.66 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.776 2.318 . . . . 0.0 112.372 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.36 0.46 1.46 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.247 -0.908 . . . . 0.0 109.667 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.453 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -110.56 22.94 14.85 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.14 -0.975 . . . . 0.0 109.428 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.453 ' O ' ' O ' ' A' ' 37' ' ' ALA . 4.1 mm? 55.0 167.29 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.183 -0.948 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.573 ' CD2' HD13 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -140.56 151.64 44.88 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.272 -0.892 . . . . 0.0 109.638 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -104.91 124.04 48.79 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.291 -0.881 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.0 mm -98.0 139.89 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.197 -0.939 . . . . 0.0 109.325 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -116.83 113.61 22.75 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.348 -0.845 . . . . 0.0 109.444 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.411 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 98.4 m-70 -104.26 140.57 37.67 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.224 -0.922 . . . . 0.0 109.742 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.512 ' NE2' ' OD2' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -118.84 112.37 19.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.343 -0.848 . . . . 0.0 109.253 179.834 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 3.6 mp -123.9 146.39 48.46 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.236 -0.915 . . . . 0.0 109.598 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.646 ' CD1' ' N ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -132.26 167.35 19.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.267 -0.896 . . . . 0.0 109.777 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.66 ' HB2' HG22 ' A' ' 113' ' ' ILE . . . -154.11 172.32 17.72 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.35 -0.844 . . . . 0.0 109.442 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -109.55 -27.43 9.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.212 -0.93 . . . . 0.0 109.547 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.1 m-20 -106.48 100.95 10.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.192 -0.943 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -46.5 -15.76 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.205 -0.934 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.566 ' N ' ' CD1' ' A' ' 50' ' ' PHE . 1.7 m-20 -68.0 -63.15 1.12 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.291 -0.88 . . . . 0.0 109.021 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.443 ' HE2' ' H ' ' A' ' 49' ' ' ASP . 8.0 pttt -65.23 -29.29 70.07 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.31 -0.868 . . . . 0.0 109.144 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.527 HD21 ' CD1' ' A' ' 84' ' ' PHE . 5.3 tt -60.78 -51.08 70.87 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.279 -0.888 . . . . 0.0 109.144 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -61.43 -49.68 75.86 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.333 -0.854 . . . . 0.0 109.414 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -57.63 8.54 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.361 -0.837 . . . . 0.0 109.615 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.26 -49.78 71.17 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.243 -0.91 . . . . 0.0 109.482 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.485 ' HB1' HG21 ' A' ' 67' ' ' VAL . . . -52.06 -60.11 3.57 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.317 -0.864 . . . . 0.0 109.559 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 57' ' ' ALA . 80.1 t -42.89 -59.65 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.214 -0.929 . . . . 0.0 109.562 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.617 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 2.4 mp0 -49.58 -38.96 33.48 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.126 -0.984 . . . . 0.0 109.441 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.36 -33.54 74.46 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.284 -0.885 . . . . 0.0 109.731 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -69.92 -51.78 30.09 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.192 -0.943 . . . . 0.0 109.463 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.0 tttp -66.0 -41.91 90.45 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.31 -0.868 . . . . 0.0 109.546 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.0 ttp -51.61 -65.78 0.5 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.181 -0.949 . . . . 0.0 109.378 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 165.45 27.29 0.02 OUTLIER Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -115.67 135.33 54.16 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.172 -1.193 . . . . 0.0 109.462 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' VAL . 9.4 mt-10 -84.34 75.86 10.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.294 -0.879 . . . . 0.0 109.481 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.485 HG21 ' HB1' ' A' ' 57' ' ' ALA . 2.7 p -43.84 149.05 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.25 -0.906 . . . . 0.0 109.658 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 85' ' ' ASP . 3.1 tp -126.1 137.09 53.58 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.372 -0.83 . . . . 0.0 109.217 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 68' ' ' LEU . 19.6 pt-20 -40.89 158.47 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.18 -0.95 . . . . 0.0 109.618 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -110.85 173.31 6.39 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.271 -0.893 . . . . 0.0 110.038 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.468 ' HG3' ' SG ' ' A' ' 83' ' ' CYS . 1.9 pt-20 -136.43 154.44 50.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.416 -0.803 . . . . 0.0 109.061 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -71.82 127.49 32.74 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.122 -0.986 . . . . 0.0 109.586 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.495 HG23 ' HB2' ' A' ' 81' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.255 -0.903 . . . . 0.0 109.653 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.279 0.561 . . . . 0.0 109.683 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.495 ' HB2' HG23 ' A' ' 73' ' ' THR . 8.1 mt -114.66 163.43 15.45 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.279 -0.888 . . . . 0.0 109.356 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 82' ' ' LEU . 5.1 mp -115.5 137.17 52.33 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.259 -0.901 . . . . 0.0 109.095 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.468 ' SG ' ' HG3' ' A' ' 71' ' ' GLU . 4.7 p -132.5 105.15 7.07 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.134 -0.979 . . . . 0.0 110.156 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.527 ' CD1' HD21 ' A' ' 53' ' ' LEU . 15.8 p90 -95.87 158.72 15.32 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.234 -0.916 . . . . 0.0 108.907 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.512 ' OD2' ' NE2' ' A' ' 44' ' ' HIS . 0.4 OUTLIER -111.94 171.64 7.38 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.132 -0.98 . . . . 0.0 109.661 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.411 ' HB3' ' HB2' ' A' ' 43' ' ' HIS . . . -150.19 119.86 7.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.216 -0.928 . . . . 0.0 109.465 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.99 147.94 25.6 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.247 -0.908 . . . . 0.0 109.659 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 11.9 ttm -147.52 153.71 39.83 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.34 -0.85 . . . . 0.0 109.189 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -107.0 132.04 53.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.274 -0.891 . . . . 0.0 109.193 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 80.4 p -166.76 148.65 6.29 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.216 -0.927 . . . . 0.0 109.555 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.99 153.71 20.73 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.25 -0.906 . . . . 0.0 109.43 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.573 HD13 ' CD2' ' A' ' 39' ' ' TYR . 14.6 tp -78.15 89.12 4.24 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.223 -0.923 . . . . 0.0 109.383 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.12 118.65 10.36 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.201 -0.937 . . . . 0.0 109.495 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -48.5 -50.22 32.6 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.286 -0.884 . . . . 0.0 109.546 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -48.97 -44.55 40.98 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.24 -0.913 . . . . 0.0 109.538 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.13 -45.01 74.77 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.268 -0.895 . . . . 0.0 109.61 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.606 ' O ' HG23 ' A' ' 101' ' ' VAL . 29.4 mt -57.72 -29.6 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.183 -0.948 . . . . 0.0 109.604 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -72.76 -47.27 48.23 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.254 -0.904 . . . . 0.0 109.452 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.4 -45.4 93.32 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.246 -0.909 . . . . 0.0 109.516 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.09 -58.78 6.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.235 -0.915 . . . . 0.0 109.326 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 97' ' ' ILE . 96.4 t -51.23 -39.28 20.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.224 -0.922 . . . . 0.0 109.118 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -54.1 -44.28 71.11 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.252 -0.905 . . . . 0.0 109.334 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -64.72 -43.94 91.79 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.209 -0.932 . . . . 0.0 109.306 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 104' ' ' LEU . 57.3 mt -62.75 -28.36 69.92 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.137 -0.977 . . . . 0.0 109.329 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 6.8 t -74.6 -49.05 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.235 -0.916 . . . . 0.0 109.568 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -61.22 -52.41 64.89 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.266 -0.896 . . . . 0.0 109.671 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.487 ' O ' ' C ' ' A' ' 108' ' ' ALA . 1.1 tt -60.6 -57.99 10.38 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.17 -0.956 . . . . 0.0 109.661 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.487 ' C ' ' O ' ' A' ' 107' ' ' LEU . . . -38.74 -54.8 1.56 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.234 -0.916 . . . . 0.0 109.441 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -65.93 -33.02 74.88 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.339 -0.851 . . . . 0.0 109.537 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 107' ' ' LEU . 3.3 tptm -50.38 -36.73 33.88 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.294 -0.879 . . . . 0.0 109.459 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.473 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 65.8 m-85 -98.02 -77.26 0.51 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.233 -0.917 . . . . 0.0 109.694 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 1.1 m-20 167.22 31.21 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.231 -0.918 . . . . 0.0 109.587 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.66 HG22 ' HB2' ' A' ' 47' ' ' ALA . 22.5 pt -111.08 137.12 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.179 -0.951 . . . . 0.0 109.467 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.753 HD12 ' N ' ' A' ' 115' ' ' TYR . 0.1 OUTLIER -84.42 125.97 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.242 -0.911 . . . . 0.0 109.316 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.753 ' N ' HD12 ' A' ' 114' ' ' ILE . 8.6 t80 -95.03 111.73 23.51 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.194 -0.941 . . . . 0.0 109.635 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' A' ' 116' ' ' ASP . 4.2 t70 -156.46 84.15 0.98 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.218 -0.926 . . . . 0.0 109.443 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 159.65 92.29 0.09 OUTLIER Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.955 -1.258 . . . . 0.0 109.955 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.685 ' O ' ' CG ' ' A' ' 118' ' ' TRP . 3.1 p-90 -134.4 112.93 11.37 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.194 -1.18 . . . . 0.0 109.178 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -128.95 161.19 22.52 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.16 164.62 13.62 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.258 -1.142 . . . . 0.0 109.509 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.347 -0.846 . . . . 0.0 109.243 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.193 0.521 . . . . 0.0 109.688 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.488 ' HG2' ' N ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -46.41 -44.44 17.18 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.167 -0.958 . . . . 0.0 109.349 -179.812 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.488 ' N ' ' HG2' ' A' ' 12' ' ' GLU . 62.4 mt -56.27 -41.22 75.49 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.257 -0.902 . . . . 0.0 109.303 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.1 mt -67.1 -42.89 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.3 -0.875 . . . . 0.0 109.306 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.57 -52.35 65.75 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.32 -0.862 . . . . 0.0 109.268 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.7 mt -56.92 -60.72 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.231 -0.918 . . . . 0.0 109.401 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -48.45 -36.12 14.29 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.283 -0.886 . . . . 0.0 109.444 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.531 ' NZ ' ' OD2' ' A' ' 98' ' ' ASP . 5.8 ttmm -57.84 -51.69 68.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.283 -0.885 . . . . 0.0 109.443 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.525 ' O ' ' C ' ' A' ' 20' ' ' GLU . 2.4 tp10 -63.78 -60.6 3.09 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.344 -0.848 . . . . 0.0 109.623 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.525 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -36.36 -70.89 0.08 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.248 -0.908 . . . . 0.0 109.694 -179.821 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' GLU . 42.4 m -42.74 -51.78 5.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.209 -0.932 . . . . 0.0 109.601 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.722 ' CG ' HH11 ' A' ' 22' ' ' ARG . 0.0 OUTLIER -47.19 -56.4 6.74 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.065 -1.022 . . . . 0.0 109.835 -179.674 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.514 ' OD1' ' C ' ' A' ' 23' ' ' ASP . 0.3 OUTLIER -53.76 -31.36 48.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.155 -0.966 . . . . 0.0 109.345 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' ILE . 43.1 mt -75.89 -71.22 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.32 -0.862 . . . . 0.0 109.256 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 24' ' ' ILE . 12.2 mm -42.12 -29.47 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.256 -0.902 . . . . 0.0 109.262 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.479 ' O ' ' OE1' ' A' ' 26' ' ' GLN . 2.9 tp-100 -73.61 -48.56 31.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.343 -0.848 . . . . 0.0 109.322 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.41 -29.44 69.6 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.204 -0.935 . . . . 0.0 109.32 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.431 ' HA ' HD23 ' A' ' 28' ' ' LEU . 70.7 mt -71.72 -61.53 1.75 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.265 -0.897 . . . . 0.0 109.276 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.14 -29.89 24.06 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.265 -0.897 . . . . 0.0 109.185 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -78.8 -34.24 45.56 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.294 -0.879 . . . . 0.0 109.362 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.56 -29.61 68.2 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.287 -0.883 . . . . 0.0 109.423 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.518 ' O ' ' O ' ' A' ' 33' ' ' SER . . . 132.46 5.46 3.28 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.518 ' O ' ' O ' ' A' ' 32' ' ' GLY . 0.4 OUTLIER -40.83 164.71 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.271 -1.135 . . . . 0.0 109.348 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -142.6 95.88 6.34 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.134 -0.979 . . . . 0.0 109.735 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -54.26 -14.67 6.92 Favored 'Trans proline' 0 C--N 1.309 -1.535 0 C-N-CA 122.564 2.176 . . . . 0.0 111.995 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.89 20.74 2.49 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.217 -0.927 . . . . 0.0 109.432 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -130.7 6.91 4.76 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.227 -0.921 . . . . 0.0 109.407 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 mt 60.57 157.46 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.209 -0.932 . . . . 0.0 109.714 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -137.62 162.56 33.47 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.208 -0.933 . . . . 0.0 109.403 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -112.95 111.24 21.85 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.23 -0.918 . . . . 0.0 109.46 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.9 mm -83.04 153.64 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.301 -0.874 . . . . 0.0 109.502 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.441 ' C ' ' CD ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -135.25 105.61 6.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.341 -0.849 . . . . 0.0 109.287 179.838 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -100.25 146.42 26.92 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.232 -0.918 . . . . 0.0 109.615 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -118.36 132.0 56.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.303 -0.873 . . . . 0.0 109.219 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 2.2 mp -133.23 149.51 51.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.097 -1.002 . . . . 0.0 109.795 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.591 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -135.58 158.96 43.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.262 -0.898 . . . . 0.0 109.61 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.718 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -151.87 -179.98 7.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.288 -0.883 . . . . 0.0 109.663 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -115.76 -36.61 4.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.286 -0.884 . . . . 0.0 109.384 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.422 ' H ' ' HE3' ' A' ' 52' ' ' LYS . 7.3 t0 -108.0 115.12 29.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.279 -0.888 . . . . 0.0 109.492 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -52.75 -12.04 0.27 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.219 -0.926 . . . . 0.0 109.496 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.419 ' N ' ' C ' ' A' ' 49' ' ' ASP . 23.6 t70 -67.19 -71.66 0.19 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.202 -0.936 . . . . 0.0 109.489 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.422 ' HE3' ' H ' ' A' ' 49' ' ' ASP . 6.2 pttt -57.56 -36.99 72.37 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.253 -0.905 . . . . 0.0 109.507 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.718 HD12 ' HB3' ' A' ' 47' ' ' ALA . 6.5 tt -58.26 -52.68 64.58 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.242 -0.911 . . . . 0.0 109.812 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.43 ' O ' HG23 ' A' ' 58' ' ' VAL . 24.2 tt0 -55.16 -56.62 17.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.27 -0.894 . . . . 0.0 109.879 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -50.06 -59.65 3.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.171 -0.956 . . . . 0.0 109.885 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.79 -36.31 58.0 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.343 -0.848 . . . . 0.0 109.948 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.17 -43.53 98.62 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.223 -0.923 . . . . 0.0 109.777 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 54' ' ' GLU . 14.9 t -62.17 -49.21 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.14 -0.975 . . . . 0.0 109.917 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.24 -33.44 65.41 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.183 -0.948 . . . . 0.0 109.796 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.54 -64.6 0.82 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.185 -0.947 . . . . 0.0 109.59 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -51.89 -39.31 58.83 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.165 -0.96 . . . . 0.0 109.547 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -53.8 -54.35 39.57 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.236 -0.915 . . . . 0.0 109.458 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 10.2 mtt -51.31 -44.25 61.88 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.261 -0.899 . . . . 0.0 109.484 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.52 28.77 0.09 OUTLIER Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.728 ' CZ ' ' SD ' ' A' ' 88' ' ' MET . 39.9 m-85 -102.75 169.3 8.7 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.225 -1.162 . . . . 0.0 109.424 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -118.65 84.78 2.24 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.271 -0.893 . . . . 0.0 109.321 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.16 141.93 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.314 -0.866 . . . . 0.0 109.585 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.677 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -119.79 149.09 42.62 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.273 -0.892 . . . . 0.0 109.35 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -48.89 156.87 0.45 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.221 -0.925 . . . . 0.0 109.564 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 83' ' ' CYS . . . -108.74 179.45 4.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.311 -0.868 . . . . 0.0 109.665 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -147.06 132.88 19.0 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.353 -0.842 . . . . 0.0 109.439 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.85 119.56 3.62 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.293 -0.88 . . . . 0.0 109.524 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.24 -0.912 . . . . 0.0 109.549 179.853 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.5 mttt . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.495 ' H ' HD12 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -155.84 -165.64 2.0 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.211 -0.93 . . . . 0.0 109.55 -179.835 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.1 mp -112.85 144.88 41.65 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.182 -0.949 . . . . 0.0 109.546 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER -139.33 115.98 10.72 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.355 -0.84 . . . . 0.0 109.574 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.649 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.8 OUTLIER -100.16 169.3 9.25 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.34 -0.85 . . . . 0.0 109.246 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.677 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -123.85 142.13 51.4 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.261 -0.899 . . . . 0.0 109.806 -179.656 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -122.83 131.49 53.78 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.274 -0.891 . . . . 0.0 109.148 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.97 147.39 36.0 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.143 -0.973 . . . . 0.0 109.721 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.728 ' SD ' ' CZ ' ' A' ' 65' ' ' PHE . 10.6 ttt -144.8 154.42 42.67 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.335 -0.853 . . . . 0.0 109.128 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -106.84 122.15 45.82 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.017 -1.052 . . . . 0.0 109.451 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 55.7 p -138.99 167.99 20.82 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.287 -0.883 . . . . 0.0 109.478 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.538 ' O ' ' C ' ' A' ' 92' ' ' LEU . . . -88.86 43.31 1.13 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.153 -0.967 . . . . 0.0 109.378 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.538 ' C ' ' O ' ' A' ' 91' ' ' ALA . 6.5 tp 36.3 80.97 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.139 -0.975 . . . . 0.0 109.501 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.478 ' CB ' HD12 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -138.68 147.83 43.27 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.209 -0.932 . . . . 0.0 109.367 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.96 -51.65 10.78 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.23 -0.919 . . . . 0.0 109.451 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.5 tttm -54.11 -55.31 28.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.216 -0.927 . . . . 0.0 109.358 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.478 HD12 ' CB ' ' A' ' 93' ' ' ASP . 8.1 mt -59.45 -48.89 79.91 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.339 -0.85 . . . . 0.0 109.496 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 18.1 mt -55.43 -28.7 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.193 -0.942 . . . . 0.0 109.499 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.531 ' OD2' ' NZ ' ' A' ' 18' ' ' LYS . 7.8 t0 -68.1 -51.36 47.24 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.308 -0.87 . . . . 0.0 109.478 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.436 ' HG3' ' H ' ' A' ' 99' ' ' GLU . 17.3 mt-10 -55.28 -34.24 63.92 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.257 -0.902 . . . . 0.0 109.649 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 101' ' ' VAL . 59.9 mt-30 -69.94 -69.06 0.37 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.237 -0.914 . . . . 0.0 109.652 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.504 HG13 ' OH ' ' A' ' 115' ' ' TYR . 53.0 t -43.1 -44.79 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.306 -0.871 . . . . 0.0 109.632 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -55.92 -45.35 78.75 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.155 -0.965 . . . . 0.0 109.458 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -61.44 -54.01 49.13 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.201 -0.937 . . . . 0.0 109.392 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 66.7 mt -59.42 -18.08 36.1 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.26 -0.9 . . . . 0.0 109.231 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.611 HG12 ' N ' ' A' ' 106' ' ' ASN . 2.6 t -82.42 -70.03 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.316 -0.865 . . . . 0.0 109.382 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.611 ' N ' HG12 ' A' ' 105' ' ' VAL . 12.6 m-80 -48.75 -33.5 10.4 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.16 -0.962 . . . . 0.0 109.32 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 110' ' ' LYS . 1.2 tp -74.74 -61.78 1.76 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.298 -0.876 . . . . 0.0 109.352 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.478 ' C ' ' O ' ' A' ' 107' ' ' LEU . . . -40.16 -43.25 1.61 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.221 -0.925 . . . . 0.0 109.278 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.69 -27.62 45.12 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.207 -0.933 . . . . 0.0 109.438 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' A' ' 107' ' ' LEU . 5.7 tptp -56.7 -33.6 66.62 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.208 -0.932 . . . . 0.0 109.366 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.483 ' O ' ' CG ' ' A' ' 112' ' ' ASP . 12.0 m-85 -99.26 -76.91 0.53 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.272 -0.893 . . . . 0.0 109.344 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.483 ' CG ' ' O ' ' A' ' 111' ' ' PHE . 0.8 OUTLIER 168.67 31.67 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.189 -0.944 . . . . 0.0 109.869 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.445 HG22 ' HB2' ' A' ' 47' ' ' ALA . 18.4 pt -113.96 146.14 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.199 -0.938 . . . . 0.0 109.078 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.495 HD12 ' N ' ' A' ' 115' ' ' TYR . 0.4 OUTLIER -97.15 114.22 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.121 -0.987 . . . . 0.0 109.988 -179.409 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.504 ' OH ' HG13 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -93.72 106.64 18.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.321 -0.862 . . . . 0.0 108.838 179.566 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -146.73 85.02 1.62 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.22 -0.925 . . . . 0.0 109.583 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 157.22 92.66 0.09 OUTLIER Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 3.2 p-90 -128.83 135.72 49.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.22 -1.165 . . . . 0.0 109.428 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -154.67 145.42 12.56 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.461 -1.455 . . . . 0.0 109.461 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.45 172.64 8.07 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.284 -1.127 . . . . 0.0 109.492 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.312 -0.868 . . . . 0.0 109.307 179.805 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 13' ' ' LEU . 8.7 pt-20 -49.36 -37.69 25.7 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.127 -0.983 . . . . 0.0 109.379 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.455 ' N ' ' CG ' ' A' ' 12' ' ' GLU . 40.5 mt -64.86 -48.67 73.46 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.231 -0.918 . . . . 0.0 109.417 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.2 mt -58.61 -43.99 88.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.171 -0.956 . . . . 0.0 109.455 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -56.25 -66.55 0.41 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.326 -0.859 . . . . 0.0 109.483 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.3 mp -47.31 -45.01 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.244 -0.91 . . . . 0.0 109.343 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.405 ' OE1' HG21 ' A' ' 101' ' ' VAL . 0.6 OUTLIER -54.77 -42.95 72.34 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.225 -0.922 . . . . 0.0 109.617 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.615 ' NZ ' ' OD2' ' A' ' 98' ' ' ASP . 50.7 mttm -61.67 -37.76 85.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.149 -0.969 . . . . 0.0 109.584 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -61.87 -60.01 4.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.08 -1.013 . . . . 0.0 109.594 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.0 -34.08 8.82 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.274 -0.891 . . . . 0.0 109.389 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 22' ' ' ARG . 2.4 m -68.17 -58.7 4.03 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.295 -0.878 . . . . 0.0 109.409 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 21' ' ' THR . 6.4 mmm180 -44.86 -44.86 9.88 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.275 -0.89 . . . . 0.0 109.848 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -62.67 -46.6 87.44 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.145 -0.972 . . . . 0.0 109.951 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 55.6 mt -64.94 -55.4 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.264 -0.898 . . . . 0.0 109.822 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 22.7 mm -51.49 -29.88 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.168 -0.958 . . . . 0.0 109.648 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -66.22 -59.98 3.23 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.199 -0.938 . . . . 0.0 109.7 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.25 -46.92 36.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.304 -0.872 . . . . 0.0 109.842 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 29' ' ' LEU . 1.8 mt -64.06 -69.13 0.3 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.229 -0.919 . . . . 0.0 109.877 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -41.21 -37.89 1.01 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.202 -0.936 . . . . 0.0 109.588 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -58.93 -51.91 68.03 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.204 -0.935 . . . . 0.0 109.515 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.58 -29.64 52.06 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.149 -0.969 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 113.81 14.04 9.76 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.9 t -47.75 142.96 4.26 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.294 -1.121 . . . . 0.0 109.572 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -106.81 146.1 32.42 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.289 -0.882 . . . . 0.0 109.263 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -70.0 -18.9 35.58 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.686 2.257 . . . . 0.0 112.218 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -88.3 7.8 30.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.249 -0.907 . . . . 0.0 109.461 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -90.41 -10.56 43.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.254 -0.904 . . . . 0.0 109.676 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.0 tp 64.95 139.16 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.181 -0.949 . . . . 0.0 109.439 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -133.54 146.19 50.82 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.303 -0.873 . . . . 0.0 109.437 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -103.37 122.08 44.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.207 -0.933 . . . . 0.0 109.376 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mm -91.2 126.02 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.245 -0.91 . . . . 0.0 109.611 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.17 116.65 32.3 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.294 -0.879 . . . . 0.0 109.323 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.501 ' ND1' ' CD1' ' A' ' 104' ' ' LEU . 14.2 m-70 -110.66 137.36 48.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.157 -0.964 . . . . 0.0 109.464 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.453 ' CD2' ' OD1' ' A' ' 85' ' ' ASP . 33.1 m170 -111.81 135.88 51.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.286 -0.884 . . . . 0.0 109.419 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 3.4 mp -140.47 144.55 36.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.179 -0.95 . . . . 0.0 109.601 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.552 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -129.73 154.28 47.34 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.303 -0.873 . . . . 0.0 109.497 179.876 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.593 ' HB1' ' HE3' ' A' ' 52' ' ' LYS . . . -135.5 171.2 14.78 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.22 -0.925 . . . . 0.0 109.373 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.555 ' H ' ' NZ ' ' A' ' 52' ' ' LYS . 2.1 mp0 -108.61 -12.29 14.99 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.296 -0.877 . . . . 0.0 109.488 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.498 ' H ' ' HE3' ' A' ' 52' ' ' LYS . 66.1 m-20 -135.65 127.63 29.58 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.295 -0.878 . . . . 0.0 109.555 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.76 -17.68 25.32 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.277 -0.89 . . . . 0.0 109.432 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.82 -68.65 0.33 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.27 -0.894 . . . . 0.0 109.447 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.593 ' HE3' ' HB1' ' A' ' 47' ' ' ALA . 5.3 pttt -60.81 -27.82 68.33 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.218 -0.926 . . . . 0.0 109.437 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.513 ' C ' HD23 ' A' ' 53' ' ' LEU . 4.7 tt -61.49 -56.53 19.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.277 -0.89 . . . . 0.0 109.573 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.86 -42.4 84.42 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.227 -0.92 . . . . 0.0 109.518 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -60.52 -60.92 3.03 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.244 -0.91 . . . . 0.0 109.529 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.21 -57.4 11.31 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.268 -0.895 . . . . 0.0 109.793 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.498 ' O ' ' C ' ' A' ' 58' ' ' VAL . . . -45.28 -62.67 1.17 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.149 -0.969 . . . . 0.0 109.685 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.498 ' C ' ' O ' ' A' ' 57' ' ' ALA . 2.0 t -38.6 -51.52 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.289 -0.882 . . . . 0.0 109.571 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.48 ' O ' ' C ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -55.54 -57.26 12.66 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.29 -0.881 . . . . 0.0 109.694 -179.638 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.48 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . -40.03 -47.09 2.23 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.2 -0.938 . . . . 0.0 109.587 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -63.36 -40.41 97.18 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.222 -0.924 . . . . 0.0 109.682 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -60.36 -41.14 93.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.235 -0.916 . . . . 0.0 109.571 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 28.2 mtm -69.12 -48.66 61.88 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.22 -0.925 . . . . 0.0 109.477 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.38 32.73 0.09 OUTLIER Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.624 ' CE2' ' SD ' ' A' ' 88' ' ' MET . 32.6 m-85 -108.73 118.56 37.09 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.26 -1.141 . . . . 0.0 109.465 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -69.37 86.71 0.43 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.209 -0.932 . . . . 0.0 109.416 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 67' ' ' VAL . 9.4 p -62.59 132.26 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.259 -0.901 . . . . 0.0 109.393 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.425 HD23 ' H ' ' A' ' 69' ' ' GLU . 0.5 OUTLIER -109.48 150.1 28.61 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.29 -0.881 . . . . 0.0 109.632 -179.75 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.425 ' H ' HD23 ' A' ' 68' ' ' LEU . 9.3 tt0 -48.95 152.85 0.96 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.43 -0.794 . . . . 0.0 109.667 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -101.27 167.71 10.02 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.472 -0.767 . . . . 0.0 109.202 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.516 ' O ' ' C ' ' A' ' 72' ' ' GLU . 71.7 tt0 -136.41 112.23 9.51 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.172 -0.955 . . . . 0.0 109.539 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.643 ' CD ' ' H ' ' A' ' 72' ' ' GLU . 1.2 pm0 -37.74 100.92 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.355 -0.84 . . . . 0.0 109.379 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 71' ' ' GLU . 12.5 t . . . . . 0 N--CA 1.489 1.491 0 O-C-N 121.299 -0.875 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 121.229 0.538 . . . . 0.0 109.65 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.725 ' H ' HD12 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -127.28 144.57 51.02 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.273 -0.892 . . . . 0.0 109.299 179.738 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.41 132.92 38.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.194 -0.941 . . . . 0.0 109.438 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.4 p -123.7 106.85 10.86 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.206 -0.934 . . . . 0.0 109.478 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 45' ' ' LEU . 9.0 p90 -99.14 161.39 13.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.114 -0.991 . . . . 0.0 109.382 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.453 ' OD1' ' CD2' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -109.23 171.48 7.41 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.251 -0.906 . . . . 0.0 109.715 -179.664 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -155.41 125.77 6.77 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.418 -0.802 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.46 149.82 35.72 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.085 -1.01 . . . . 0.0 109.82 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.624 ' SD ' ' CE2' ' A' ' 65' ' ' PHE . 13.0 ttt -152.55 111.07 3.74 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.372 -0.83 . . . . 0.0 109.37 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -58.43 144.37 42.26 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.29 -0.881 . . . . 0.0 109.653 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.47 170.63 14.23 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.28 -0.887 . . . . 0.0 109.421 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.54 ' O ' ' C ' ' A' ' 92' ' ' LEU . . . -102.3 122.13 43.63 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.218 -0.926 . . . . 0.0 109.561 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.54 ' C ' ' O ' ' A' ' 91' ' ' ALA . 4.7 tp -36.19 102.39 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.257 -0.902 . . . . 0.0 109.461 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.515 ' O ' ' C ' ' A' ' 94' ' ' ALA . 1.4 m-20 -159.73 97.22 1.29 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.198 -0.939 . . . . 0.0 109.561 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 93' ' ' ASP . . . -37.31 -47.0 0.8 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.257 -0.902 . . . . 0.0 109.416 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.463 ' HZ2' ' HB3' ' A' ' 95' ' ' LYS . 6.4 mtpm? -52.45 -55.0 24.84 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.224 -0.923 . . . . 0.0 109.404 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 99' ' ' GLU . 0.2 OUTLIER -64.7 -61.63 2.07 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.25 -0.906 . . . . 0.0 109.102 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.492 ' C ' ' O ' ' A' ' 96' ' ' LEU . 34.4 mt -38.68 -38.14 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.39 -0.819 . . . . 0.0 109.396 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.615 ' OD2' ' NZ ' ' A' ' 18' ' ' LYS . 89.9 m-20 -67.3 -41.42 85.38 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.192 -0.943 . . . . 0.0 109.321 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 96' ' ' LEU . 5.0 mm-40 -61.39 -43.06 99.52 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.313 -0.867 . . . . 0.0 109.374 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -63.27 -44.13 95.97 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.271 -0.893 . . . . 0.0 109.294 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.539 ' O ' ' C ' ' A' ' 102' ' ' GLU . 69.8 t -64.88 -63.13 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.295 -0.878 . . . . 0.0 109.493 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.539 ' C ' ' O ' ' A' ' 101' ' ' VAL . 4.2 tt0 -35.76 -47.57 0.5 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.299 -0.876 . . . . 0.0 109.553 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -60.3 -42.73 96.11 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.236 -0.915 . . . . 0.0 109.476 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 101' ' ' VAL . 84.2 mt -71.24 -17.81 62.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.303 -0.873 . . . . 0.0 109.698 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.0 t -82.51 -50.95 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.217 -0.927 . . . . 0.0 109.745 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.522 ' N ' ' OD1' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -66.04 -43.26 88.05 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.209 -0.932 . . . . 0.0 109.906 -179.69 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.15 -50.49 61.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.281 -0.887 . . . . 0.0 109.676 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.437 ' HB1' HG13 ' A' ' 113' ' ' ILE . . . -49.85 -53.25 26.84 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.276 -0.89 . . . . 0.0 109.722 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -69.29 -19.44 63.9 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.242 -0.911 . . . . 0.0 109.644 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.57 ' HZ3' ' HB3' ' A' ' 110' ' ' LYS . 2.1 ttpm? -68.01 -32.48 72.9 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.176 -0.953 . . . . 0.0 109.598 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.563 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 11.4 m-85 -97.7 -77.22 0.5 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.189 -0.944 . . . . 0.0 109.689 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.571 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER 170.41 30.62 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.197 -0.939 . . . . 0.0 109.681 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.437 HG13 ' HB1' ' A' ' 108' ' ' ALA . 22.2 pt -114.26 173.68 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.221 -0.925 . . . . 0.0 109.192 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.8 tt -123.85 131.23 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.049 -1.032 . . . . 0.0 109.822 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.687 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 1.4 t80 -101.89 95.55 6.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.404 -0.81 . . . . 0.0 108.932 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -142.05 80.48 1.71 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.232 -0.917 . . . . 0.0 109.683 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 159.3 77.27 0.02 OUTLIER Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -116.49 150.6 37.64 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.052 -1.264 . . . . 0.0 109.153 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.12 167.69 36.16 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 4.4 t -127.42 167.7 15.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.405 -1.056 . . . . 0.0 109.391 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.233 -0.917 . . . . 0.0 109.577 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.235 0.541 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.411 ' CG ' ' N ' ' A' ' 13' ' ' LEU . 5.3 pt-20 -56.68 -34.64 67.59 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.199 -0.938 . . . . 0.0 109.483 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.411 ' N ' ' CG ' ' A' ' 12' ' ' GLU . 89.4 mt -69.84 -43.19 72.43 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.19 -0.944 . . . . 0.0 109.309 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.2 mt -61.49 -37.94 78.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.286 -0.884 . . . . 0.0 109.506 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -63.05 -56.58 15.75 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.276 -0.89 . . . . 0.0 109.478 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.4 mt -47.94 -67.12 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.334 -0.854 . . . . 0.0 109.643 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -45.71 -39.16 7.7 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.305 -0.872 . . . . 0.0 109.777 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.2 ttmt -58.16 -39.51 79.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.223 -0.923 . . . . 0.0 109.56 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -74.01 -56.92 4.35 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.247 -0.908 . . . . 0.0 109.446 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -48.66 -61.24 2.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.268 -0.895 . . . . 0.0 109.571 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.489 ' O ' ' C ' ' A' ' 22' ' ' ARG . 98.4 m -48.04 -63.21 1.13 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.253 -0.904 . . . . 0.0 109.578 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.489 ' C ' ' O ' ' A' ' 21' ' ' THR . 1.5 ttp180 -39.05 -37.61 0.39 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.287 -0.883 . . . . 0.0 109.653 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -47.4 71.82 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.198 -0.939 . . . . 0.0 109.502 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.475 ' O ' ' C ' ' A' ' 25' ' ' ILE . 19.2 mt -63.32 -61.12 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.293 -0.879 . . . . 0.0 109.526 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.475 ' C ' ' O ' ' A' ' 24' ' ' ILE . 11.4 mm -39.21 -48.02 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.253 -0.904 . . . . 0.0 109.571 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -60.05 -43.07 95.62 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.181 -0.95 . . . . 0.0 109.397 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . -61.24 -65.03 0.76 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.26 -0.9 . . . . 0.0 109.424 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.668 ' O ' ' N ' ' A' ' 32' ' ' GLY . 13.9 mt -43.98 -52.3 7.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.309 -0.869 . . . . 0.0 109.378 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.7 mt -50.66 -33.64 23.26 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.255 -0.903 . . . . 0.0 109.538 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 27' ' ' ALA . 1.4 tt0 -74.2 -37.78 63.81 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.215 -0.928 . . . . 0.0 109.581 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -129.49 42.0 3.36 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.203 -0.935 . . . . 0.0 109.519 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.668 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -178.63 27.95 0.06 OUTLIER Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.53 75.35 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.248 -1.148 . . . . 0.0 109.599 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -138.32 52.24 4.55 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.138 -0.976 . . . . 0.0 109.411 179.806 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 34' ' ' ASP . 27.1 Cg_endo -65.47 -19.35 60.98 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.875 2.383 . . . . 0.0 112.225 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -85.46 -6.55 59.19 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.259 -0.901 . . . . 0.0 109.474 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.11 10.71 36.75 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.287 -0.883 . . . . 0.0 109.456 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER 64.56 141.25 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.284 -0.885 . . . . 0.0 109.359 179.897 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.432 ' CD1' ' HB2' ' A' ' 92' ' ' LEU . 2.1 m-85 -119.25 169.33 10.06 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.32 -0.863 . . . . 0.0 109.445 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -123.6 114.72 20.4 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.272 -0.893 . . . . 0.0 109.546 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.446 HD13 ' N ' ' A' ' 41' ' ' ILE . 6.6 mm -90.0 154.4 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.257 -0.902 . . . . 0.0 109.403 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -137.8 122.15 18.24 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.206 -0.934 . . . . 0.0 109.616 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -116.19 138.47 51.25 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.274 -0.891 . . . . 0.0 109.614 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -114.06 131.16 56.48 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.248 -0.908 . . . . 0.0 109.245 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 3.0 mp -135.42 147.75 49.09 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.365 -0.834 . . . . 0.0 109.428 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.601 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 1.7 p90 -134.66 150.61 50.66 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 0.0 109.656 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.46 176.91 8.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.444 -0.785 . . . . 0.0 109.682 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -112.09 -52.61 2.77 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.379 -0.825 . . . . 0.0 109.298 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.67 ' O ' ' N ' ' A' ' 51' ' ' ASP . 5.1 t0 -79.58 99.91 7.54 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.231 -0.918 . . . . 0.0 109.508 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -43.76 -12.08 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.244 -0.91 . . . . 0.0 109.506 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.67 ' N ' ' O ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -73.78 -66.69 0.67 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.198 -0.939 . . . . 0.0 109.512 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -59.96 -18.93 49.16 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.189 -0.944 . . . . 0.0 109.653 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.668 ' C ' HD23 ' A' ' 53' ' ' LEU . 3.7 tt -71.83 -62.95 1.24 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.184 -0.947 . . . . 0.0 109.605 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -59.84 -20.45 57.07 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.227 -0.921 . . . . 0.0 109.509 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -76.84 -54.98 5.9 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.28 -0.888 . . . . 0.0 109.384 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.96 -31.51 72.64 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.303 -0.873 . . . . 0.0 109.364 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.466 ' HB1' HG21 ' A' ' 67' ' ' VAL . . . -67.7 -51.62 47.37 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.317 -0.864 . . . . 0.0 109.475 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.9 t -50.41 -56.32 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.253 -0.904 . . . . 0.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -48.41 -52.79 20.35 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.248 -0.908 . . . . 0.0 109.384 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -46.67 -47.93 20.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.249 -0.907 . . . . 0.0 109.266 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -52.23 -54.22 33.77 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.318 -0.864 . . . . 0.0 109.489 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -46.94 -41.38 16.01 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.274 -0.891 . . . . 0.0 109.431 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 60.1 mtt -63.54 -56.97 11.82 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.249 -0.907 . . . . 0.0 109.381 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.07 43.34 0.04 OUTLIER Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 88' ' ' MET . 18.3 m-85 -113.32 145.97 40.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.283 -1.128 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.657 ' OE1' ' N ' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -89.42 70.87 8.08 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.254 -0.903 . . . . 0.0 109.415 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.466 HG21 ' HB1' ' A' ' 57' ' ' ALA . 5.9 p -46.57 149.11 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.242 -0.911 . . . . 0.0 109.411 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -132.6 150.03 52.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.294 -0.879 . . . . 0.0 109.59 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -56.45 172.79 0.21 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.258 -0.902 . . . . 0.0 109.696 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.476 ' HB1' ' H ' ' A' ' 83' ' ' CYS . . . -119.86 -179.86 4.04 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.427 -0.796 . . . . 0.0 109.416 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.472 ' O ' ' C ' ' A' ' 72' ' ' GLU . 43.7 tt0 -146.38 135.78 22.92 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.15 -0.969 . . . . 0.0 109.525 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -40.1 111.89 0.23 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.224 -0.923 . . . . 0.0 109.285 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.655 HG22 ' O ' ' A' ' 81' ' ' LEU . 11.9 t . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.21 -0.931 . . . . 0.0 109.65 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.655 ' O ' HG22 ' A' ' 73' ' ' THR . 0.6 OUTLIER -118.85 161.52 20.03 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.208 -0.933 . . . . 0.0 109.427 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.608 HD23 ' N ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -100.18 129.29 46.18 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.22 -0.925 . . . . 0.0 109.502 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.64 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 24.3 p -123.79 100.03 6.57 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.413 -0.804 . . . . 0.0 109.927 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.484 ' CZ ' ' HB2' ' A' ' 45' ' ' LEU . 19.3 p90 -89.87 157.76 17.75 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.214 -0.929 . . . . 0.0 108.748 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.671 ' OD1' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -112.27 171.56 7.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.082 -1.011 . . . . 0.0 110.352 -179.187 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.671 ' N ' ' OD1' ' A' ' 85' ' ' ASP . . . -150.91 110.82 4.08 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.13 159.31 15.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.304 -0.872 . . . . 0.0 109.953 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.481 ' SD ' ' NE2' ' A' ' 100' ' ' GLN . 0.9 OUTLIER -160.88 117.08 2.26 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.314 -0.866 . . . . 0.0 109.346 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -76.19 123.57 26.07 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.201 -0.937 . . . . 0.0 109.414 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.428 ' OG ' ' CD2' ' A' ' 96' ' ' LEU . 1.3 t -157.37 152.09 25.44 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.222 -0.924 . . . . 0.0 109.557 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.19 163.42 0.23 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.338 -0.851 . . . . 0.0 109.639 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.432 ' HB2' ' CD1' ' A' ' 39' ' ' TYR . 5.9 tp -92.07 106.17 18.25 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.241 -0.912 . . . . 0.0 109.335 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -152.84 121.54 6.44 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.202 -0.936 . . . . 0.0 109.542 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -47.87 -65.35 0.58 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.271 -0.893 . . . . 0.0 109.471 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.535 ' O ' ' N ' ' A' ' 98' ' ' ASP . 10.6 mttt -40.15 -65.0 0.44 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.254 -0.904 . . . . 0.0 109.424 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.465 ' C ' ' O ' ' A' ' 95' ' ' LYS . 0.4 OUTLIER -41.89 -56.05 2.87 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.196 -0.94 . . . . 0.0 109.193 179.855 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 32.6 mt -54.07 -27.98 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.396 -0.815 . . . . 0.0 109.29 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.535 ' N ' ' O ' ' A' ' 95' ' ' LYS . 0.4 OUTLIER -69.74 -56.39 7.3 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.265 -0.897 . . . . 0.0 109.447 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -56.35 -33.94 66.14 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.198 -0.939 . . . . 0.0 109.473 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.481 ' NE2' ' SD ' ' A' ' 88' ' ' MET . 31.0 mt-30 -69.16 -62.1 1.52 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.252 -0.905 . . . . 0.0 109.414 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.492 ' O ' HG23 ' A' ' 105' ' ' VAL . 38.0 t -52.34 -44.4 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.296 -0.877 . . . . 0.0 109.253 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.529 ' O ' ' OD1' ' A' ' 106' ' ' ASN . 0.9 OUTLIER -56.18 -38.26 70.7 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.397 -0.814 . . . . 0.0 109.482 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 13.8 mttm -66.83 -42.6 85.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.165 -0.96 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.9 mt -68.52 -32.05 71.74 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.191 -0.943 . . . . 0.0 109.393 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 101' ' ' VAL . 75.8 t -68.51 -39.3 80.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.368 -0.833 . . . . 0.0 109.862 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.529 ' OD1' ' O ' ' A' ' 102' ' ' GLU . 0.8 OUTLIER -68.34 -52.67 30.79 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.229 -0.919 . . . . 0.0 109.713 -179.743 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.3 tp -58.9 -51.0 71.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.08 -1.013 . . . . 0.0 109.55 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.3 -56.72 5.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.335 -0.853 . . . . 0.0 109.709 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -67.07 -16.67 64.49 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.244 -0.91 . . . . 0.0 109.738 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.3 tttm -76.04 -23.12 55.09 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.139 -0.976 . . . . 0.0 109.661 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.476 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 23.5 m-85 -107.79 -77.2 0.6 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.184 -0.947 . . . . 0.0 109.852 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.3 OUTLIER 167.92 34.96 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.062 -1.023 . . . . 0.0 109.838 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.2 pt -119.46 157.23 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.092 -1.005 . . . . 0.0 109.559 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.479 HG23 ' CZ ' ' A' ' 46' ' ' PHE . 0.7 OUTLIER -104.19 120.78 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.285 -0.884 . . . . 0.0 109.429 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.564 ' CD1' ' O ' ' A' ' 115' ' ' TYR . 2.5 t80 -97.61 111.57 23.79 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.285 -0.884 . . . . 0.0 109.424 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.636 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 2.6 p-10 -160.08 79.17 0.68 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.232 -0.917 . . . . 0.0 109.585 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 171.57 68.75 0.04 OUTLIER Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.433 -1.467 . . . . 0.0 109.433 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -111.42 146.17 37.65 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.204 -1.174 . . . . 0.0 109.584 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -164.54 174.3 40.55 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.95 169.79 16.91 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.232 -1.158 . . . . 0.0 109.605 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.228 -0.92 . . . . 0.0 109.398 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.507 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 22.8 tt0 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.244 0.545 . . . . 0.0 109.698 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 13' ' ' LEU . 2.0 mt-10 -54.53 -57.83 9.83 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.258 -0.902 . . . . 0.0 109.743 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.464 ' N ' HD23 ' A' ' 13' ' ' LEU . 7.3 mt -44.04 -44.96 7.74 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.206 -0.933 . . . . 0.0 109.629 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.2 mt -61.08 -39.18 81.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.152 -0.967 . . . . 0.0 109.513 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.507 ' OE1' ' O ' ' A' ' 11' ' ' GLU . 2.0 mp0 -63.12 -57.06 11.84 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.273 -0.892 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.0 mm -54.52 -29.39 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.247 -0.908 . . . . 0.0 109.505 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.417 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -74.43 -37.3 63.33 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.328 -0.857 . . . . 0.0 109.375 -179.885 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -64.02 -37.98 89.42 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.333 -0.855 . . . . 0.0 109.368 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -72.24 -44.53 62.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.219 -0.926 . . . . 0.0 109.262 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.3 -55.07 38.18 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.354 -0.841 . . . . 0.0 109.265 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 17' ' ' GLN . 1.5 m -47.61 -57.6 5.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.317 -0.865 . . . . 0.0 109.339 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -49.82 -38.23 33.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.302 -0.874 . . . . 0.0 109.473 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -65.88 -41.75 91.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.222 -0.924 . . . . 0.0 109.562 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.481 ' O ' ' C ' ' A' ' 25' ' ' ILE . 86.0 mt -72.3 -63.58 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.189 -0.944 . . . . 0.0 109.511 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.481 ' C ' ' O ' ' A' ' 24' ' ' ILE . 34.6 mm -39.25 -38.4 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.216 -0.928 . . . . 0.0 109.406 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -68.55 -55.03 13.02 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.189 -0.944 . . . . 0.0 109.382 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.46 -48.71 65.68 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.321 -0.862 . . . . 0.0 109.48 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.67 ' O ' ' N ' ' A' ' 32' ' ' GLY . 15.5 mt -55.39 -54.57 42.1 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.181 -0.949 . . . . 0.0 109.263 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 25' ' ' ILE . 7.2 mp -58.03 -19.02 28.07 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.347 -0.845 . . . . 0.0 109.567 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.56 ' O ' ' OD1' ' A' ' 31' ' ' ASP . 20.2 tt0 -81.79 -31.6 31.76 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.13 -0.981 . . . . 0.0 109.582 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.56 ' OD1' ' O ' ' A' ' 30' ' ' GLU . 22.1 m-20 -143.36 29.88 1.41 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.194 -0.941 . . . . 0.0 109.699 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.67 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -173.4 38.74 0.14 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.514 ' O ' ' O ' ' A' ' 32' ' ' GLY . 68.0 m -57.99 -121.43 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.259 -1.142 . . . . 0.0 109.491 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.536 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 3.9 m-20 53.89 49.09 5.46 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.296 -0.878 . . . . 0.0 109.548 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 34' ' ' ASP . 40.6 Cg_endo -70.31 -2.66 10.94 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.746 2.297 . . . . 0.0 112.054 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.641 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 0.2 OUTLIER -88.5 -17.3 30.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.22 -0.925 . . . . 0.0 109.395 179.902 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' A' ' 38' ' ' LEU . . . -71.08 -84.32 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.25 -0.906 . . . . 0.0 109.34 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.407 ' CB ' ' O ' ' A' ' 37' ' ' ALA . 0.9 OUTLIER 169.04 150.44 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.237 -0.914 . . . . 0.0 109.481 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -138.22 157.89 45.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.306 -0.871 . . . . 0.0 109.457 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -119.57 116.04 25.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.305 -0.872 . . . . 0.0 109.462 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.875 HD12 ' N ' ' A' ' 41' ' ' ILE . 1.8 mp -85.65 136.87 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.329 -0.857 . . . . 0.0 109.325 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.431 ' OE2' ' CE2' ' A' ' 121' ' ' TYR . 6.3 mt-10 -113.46 126.39 55.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.125 -0.984 . . . . 0.0 109.749 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.5 ' CD2' ' CD1' ' A' ' 104' ' ' LEU . 71.5 m-70 -117.39 129.72 56.03 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.301 -0.874 . . . . 0.0 109.075 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.532 ' C ' HD12 ' A' ' 45' ' ' LEU . 26.3 m80 -109.22 134.01 52.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.148 -0.97 . . . . 0.0 109.938 -179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.532 HD12 ' C ' ' A' ' 44' ' ' HIS . 5.5 mp -137.05 142.88 42.42 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.458 -0.776 . . . . 0.0 109.249 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.676 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -119.37 157.74 27.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.218 -0.926 . . . . 0.0 109.661 -179.854 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.502 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -138.68 173.72 11.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.333 -0.854 . . . . 0.0 109.533 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.505 ' H ' ' HE3' ' A' ' 52' ' ' LYS . 30.1 mt-10 -109.89 -29.04 8.46 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.282 -0.886 . . . . 0.0 109.588 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.473 ' H ' ' CE ' ' A' ' 52' ' ' LYS . 11.7 t0 -118.8 133.82 55.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.208 -0.933 . . . . 0.0 109.586 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -60.73 -25.02 66.15 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.288 -0.883 . . . . 0.0 109.455 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.83 -74.08 0.08 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.245 -0.91 . . . . 0.0 109.602 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.505 ' HE3' ' H ' ' A' ' 48' ' ' GLU . 19.7 pttt -56.62 -25.37 52.93 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.26 -0.9 . . . . 0.0 109.642 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.502 HD12 ' HB3' ' A' ' 47' ' ' ALA . 3.9 tt -64.3 -53.9 41.57 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.16 -0.963 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.406 ' O ' HG23 ' A' ' 58' ' ' VAL . 21.0 mm-40 -63.72 -28.24 69.76 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.176 -0.953 . . . . 0.0 109.193 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 111' ' ' PHE . 38.8 mmtt -67.97 -67.84 0.43 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.273 -0.892 . . . . 0.0 109.333 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.54 -48.16 38.74 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.276 -0.89 . . . . 0.0 109.297 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.31 -62.21 1.8 Allowed 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.293 -0.879 . . . . 0.0 109.246 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 54' ' ' GLU . 50.3 t -49.45 -36.71 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.248 -0.907 . . . . 0.0 109.179 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -51.86 66.55 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.285 -0.885 . . . . 0.0 109.246 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.51 -44.98 95.05 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.314 -0.866 . . . . 0.0 109.204 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -52.16 -35.61 49.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.269 -0.895 . . . . 0.0 109.297 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 63' ' ' MET . 10.0 tttm -71.27 -53.68 13.45 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.239 -0.913 . . . . 0.0 109.364 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 62' ' ' LYS . 33.2 mtm -42.71 -49.26 5.64 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.284 -0.885 . . . . 0.0 109.447 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.05 33.91 0.09 OUTLIER Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.424 ' CD2' ' HB2' ' A' ' 88' ' ' MET . 54.4 m-85 -107.66 154.27 21.71 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.239 -1.154 . . . . 0.0 109.504 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.58 74.72 3.24 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.257 -0.902 . . . . 0.0 109.228 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 p -46.41 144.8 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.291 -0.881 . . . . 0.0 109.501 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.507 ' O ' ' O ' ' A' ' 69' ' ' GLU . 0.8 OUTLIER -128.38 136.06 50.39 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.294 -0.879 . . . . 0.0 109.353 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.507 ' O ' ' O ' ' A' ' 68' ' ' LEU . 41.6 tt0 -39.6 161.61 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.245 -0.909 . . . . 0.0 109.399 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.453 ' N ' ' HG2' ' A' ' 69' ' ' GLU . . . -104.96 176.88 5.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.178 -0.951 . . . . 0.0 109.765 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 73' ' ' THR . 3.7 tt0 -131.16 120.54 23.46 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.37 -0.832 . . . . 0.0 109.158 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.81 89.25 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.245 -0.91 . . . . 0.0 109.81 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 71' ' ' GLU . 2.8 t . . . . . 0 N--CA 1.49 1.575 0 O-C-N 121.306 -0.871 . . . . 0.0 109.308 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.7 mttp . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 pp -136.18 141.8 44.08 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.287 -0.883 . . . . 0.0 109.31 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.575 ' CD1' ' N ' ' A' ' 82' ' ' LEU . 5.5 mp -81.21 130.71 35.15 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.207 -0.933 . . . . 0.0 109.805 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.6 p -123.27 100.74 7.0 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.475 -0.765 . . . . 0.0 109.291 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 45' ' ' LEU . 29.3 p90 -91.86 146.8 23.46 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.314 -0.866 . . . . 0.0 109.45 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.623 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 0.1 OUTLIER -107.48 164.23 12.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.239 -0.913 . . . . 0.0 109.685 -179.728 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -143.01 128.61 19.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.355 -0.841 . . . . 0.0 109.158 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.55 139.44 43.31 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.153 -0.967 . . . . 0.0 109.792 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.424 ' HB2' ' CD2' ' A' ' 65' ' ' PHE . 0.8 OUTLIER -131.0 100.27 5.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.367 -0.833 . . . . 0.0 109.112 179.709 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -67.69 122.72 18.68 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.217 -0.927 . . . . 0.0 109.793 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 93.3 p -165.46 170.74 14.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.338 -0.851 . . . . 0.0 109.302 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.12 -179.11 0.27 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.173 -0.954 . . . . 0.0 109.512 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.7 tp -107.74 98.44 8.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.247 -0.908 . . . . 0.0 109.613 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.469 ' O ' ' C ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -142.08 107.41 5.01 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.198 -0.939 . . . . 0.0 109.282 179.769 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.605 ' HA ' HD12 ' A' ' 97' ' ' ILE . . . -38.67 -73.2 0.05 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.207 -0.933 . . . . 0.0 109.661 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.535 ' C ' ' O ' ' A' ' 94' ' ' ALA . 15.7 mmtt -32.73 -60.0 0.32 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.407 -0.808 . . . . 0.0 109.902 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.4 tp -49.77 -45.02 49.16 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.175 -0.953 . . . . 0.0 109.362 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' A' ' 94' ' ' ALA . 43.7 mt -59.03 -25.33 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.221 -0.925 . . . . 0.0 109.213 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -74.37 -42.23 59.66 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.254 -0.904 . . . . 0.0 109.242 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -63.97 -39.09 93.35 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.217 -0.927 . . . . 0.0 109.282 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -71.6 -48.89 45.16 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.292 -0.88 . . . . 0.0 109.234 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.555 HG13 ' CE2' ' A' ' 115' ' ' TYR . 12.3 t -57.4 -49.29 80.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.183 -0.948 . . . . 0.0 109.091 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -56.51 -44.11 80.41 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.2 -0.937 . . . . 0.0 108.954 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -57.12 -43.81 82.7 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.436 -0.79 . . . . 0.0 108.884 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.5 ' CD1' ' CD2' ' A' ' 43' ' ' HIS . 43.4 mt -66.72 -26.99 67.27 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.356 -0.84 . . . . 0.0 109.014 179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.538 HG12 ' N ' ' A' ' 106' ' ' ASN . 2.8 t -72.15 -68.1 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.342 -0.849 . . . . 0.0 109.233 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.538 ' N ' HG12 ' A' ' 105' ' ' VAL . 30.1 m120 -43.93 -35.69 2.12 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.235 -0.915 . . . . 0.0 109.128 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 110' ' ' LYS . 6.4 tp -69.95 -55.36 9.84 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.408 -0.808 . . . . 0.0 109.554 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 107' ' ' LEU . . . -44.36 -53.74 6.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.272 -0.893 . . . . 0.0 109.516 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -67.77 -23.12 65.19 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.241 -0.912 . . . . 0.0 109.447 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 107' ' ' LEU . 4.1 ttpp -63.55 -33.61 75.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.268 -0.895 . . . . 0.0 109.492 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.538 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 4.5 m-85 -102.36 -77.07 0.56 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.253 -0.904 . . . . 0.0 109.493 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.538 ' OD1' ' O ' ' A' ' 111' ' ' PHE . 0.8 OUTLIER 168.45 32.93 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.325 -0.859 . . . . 0.0 109.361 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 12.9 pt -117.18 -179.9 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.273 -0.892 . . . . 0.0 109.339 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.1 tt -124.52 150.81 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.235 -0.915 . . . . 0.0 109.844 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.625 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 6.7 t80 -125.13 92.11 3.57 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.329 -0.857 . . . . 0.0 109.116 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -140.9 64.57 1.42 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.267 -0.895 . . . . 0.0 109.687 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.503 ' O ' ' ND1' ' A' ' 44' ' ' HIS . . . 177.53 84.78 0.06 OUTLIER Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.92 -1.272 . . . . 0.0 109.92 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -120.44 147.73 44.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.228 -1.16 . . . . 0.0 109.09 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.95 152.83 23.35 Favored Glycine 0 N--CA 1.491 2.329 0 C-N-CA 119.652 -1.261 . . . . 0.0 110.016 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 6.0 t -134.65 158.37 44.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.364 -1.08 . . . . 0.0 109.347 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.431 ' CE2' ' OE2' ' A' ' 42' ' ' GLU . 45.7 m-85 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.192 -0.943 . . . . 0.0 109.557 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 13' ' ' LEU . 1.2 mt-10 -75.09 -58.73 3.1 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.207 -0.933 . . . . 0.0 109.343 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 12' ' ' GLU . 14.6 mt -45.18 -40.7 7.47 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.203 -0.936 . . . . 0.0 109.28 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.597 ' CG2' ' HZ3' ' A' ' 18' ' ' LYS . 43.1 mt -64.35 -68.9 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.232 -0.917 . . . . 0.0 109.33 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.544 ' C ' ' O ' ' A' ' 14' ' ' ILE . 3.8 mm-40 -35.68 -42.25 0.24 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.252 -0.905 . . . . 0.0 109.396 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 32.7 mt -67.43 -62.02 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.179 -0.95 . . . . 0.0 109.332 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -46.29 -36.95 6.73 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.125 -0.985 . . . . 0.0 109.186 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.597 ' HZ3' ' CG2' ' A' ' 14' ' ' ILE . 20.7 mttp -60.93 -63.64 1.23 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.217 -0.927 . . . . 0.0 109.032 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.683 ' N ' HH21 ' A' ' 22' ' ' ARG . 3.5 tt0 -49.51 -60.77 2.56 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.361 -0.837 . . . . 0.0 109.215 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 23' ' ' ASP . 15.1 tt0 -45.62 -64.84 0.64 Allowed 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.247 -0.908 . . . . 0.0 109.163 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 20' ' ' GLU . 47.9 m -38.45 -65.49 0.34 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.38 -0.825 . . . . 0.0 109.416 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.683 HH21 ' N ' ' A' ' 19' ' ' GLU . 13.3 mtm180 -43.25 -35.3 1.4 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.279 -0.888 . . . . 0.0 109.192 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 20' ' ' GLU . 7.0 t0 -59.93 -48.05 83.28 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.355 -0.841 . . . . 0.0 109.358 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.468 ' O ' ' C ' ' A' ' 25' ' ' ILE . 54.4 mt -66.69 -59.68 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.271 -0.893 . . . . 0.0 109.317 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.494 ' N ' HD13 ' A' ' 25' ' ' ILE . 5.4 mm -40.53 -51.03 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.202 -0.936 . . . . 0.0 109.266 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -52.86 -50.82 63.03 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.234 -0.916 . . . . 0.0 109.481 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.507 ' O ' ' OD1' ' A' ' 31' ' ' ASP . . . -59.46 -69.28 0.21 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.203 -0.936 . . . . 0.0 109.463 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.502 ' C ' ' O ' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -36.93 -36.4 0.12 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.324 -0.86 . . . . 0.0 109.314 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' ALA . 1.6 mp -71.49 -46.81 58.81 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.277 -0.889 . . . . 0.0 109.375 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 27' ' ' ALA . 4.5 tt0 -62.89 -32.44 73.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.303 -0.873 . . . . 0.0 109.361 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.662 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -64.72 -29.91 70.9 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.331 -0.856 . . . . 0.0 109.552 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.95 21.91 6.84 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.461 -1.455 . . . . 0.0 109.461 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m -55.86 -170.98 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.295 -1.12 . . . . 0.0 109.576 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -143.96 87.6 7.96 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.295 -0.878 . . . . 0.0 109.52 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.437 ' C ' ' H ' ' A' ' 37' ' ' ALA . 52.3 Cg_exo -51.56 -34.64 53.15 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.968 2.445 . . . . 0.0 112.423 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -71.74 11.55 0.49 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.139 -0.976 . . . . 0.0 109.733 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.437 ' H ' ' C ' ' A' ' 35' ' ' PRO . . . -109.7 13.82 23.58 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.157 -0.965 . . . . 0.0 109.646 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 64.6 143.48 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.226 -0.922 . . . . 0.0 109.435 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -131.44 150.5 52.13 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.211 -0.93 . . . . 0.0 109.478 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -104.99 120.18 40.83 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.309 -0.87 . . . . 0.0 109.208 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.401 ' N ' HD13 ' A' ' 41' ' ' ILE . 4.8 mm -93.22 137.98 21.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.195 -0.941 . . . . 0.0 109.542 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.32 137.01 52.13 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.21 -0.931 . . . . 0.0 109.402 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.404 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 32.9 m-70 -129.57 126.36 38.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.23 -0.919 . . . . 0.0 109.594 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -106.05 113.78 27.53 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.276 -0.89 . . . . 0.0 109.403 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.488 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 1.4 mp -118.91 148.12 43.27 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.229 -0.919 . . . . 0.0 109.567 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.508 ' CD1' ' N ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -133.43 159.77 39.37 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.362 -0.836 . . . . 0.0 109.425 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.544 ' HB2' HG22 ' A' ' 113' ' ' ILE . . . -142.49 160.42 40.32 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.308 -0.87 . . . . 0.0 109.609 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -97.81 -12.46 22.18 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.281 -0.887 . . . . 0.0 109.368 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -117.9 124.41 48.21 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.272 -0.893 . . . . 0.0 109.421 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.751 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -59.92 -28.99 68.07 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.212 -0.93 . . . . 0.0 109.307 179.861 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.86 -45.72 49.3 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.331 -0.856 . . . . 0.0 109.099 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -19.91 66.2 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.326 -0.859 . . . . 0.0 108.915 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.469 ' C ' HD23 ' A' ' 53' ' ' LEU . 8.6 tt -74.99 -53.43 8.95 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.409 -0.807 . . . . 0.0 109.363 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -61.91 -36.41 81.27 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.339 -0.85 . . . . 0.0 109.562 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -63.97 -64.45 0.89 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.267 -0.896 . . . . 0.0 109.728 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.48 -50.35 72.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.254 -0.904 . . . . 0.0 109.789 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.645 ' HB1' HG21 ' A' ' 67' ' ' VAL . . . -53.52 -45.97 69.96 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.213 -0.93 . . . . 0.0 109.586 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.511 HG12 ' N ' ' A' ' 59' ' ' GLU . 2.3 t -52.63 -62.49 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.25 -0.906 . . . . 0.0 109.538 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.511 ' N ' HG12 ' A' ' 58' ' ' VAL . 3.2 tt0 -50.01 -25.05 3.0 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.206 -0.934 . . . . 0.0 109.618 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 57' ' ' ALA . . . -71.65 -49.24 41.79 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.22 -0.925 . . . . 0.0 109.67 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.603 ' CD1' ' C ' ' A' ' 61' ' ' PHE . 1.5 t80 -63.75 -32.58 74.13 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.276 -0.89 . . . . 0.0 109.615 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -69.46 -33.53 73.04 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.157 -0.964 . . . . 0.0 109.59 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 8.1 mtm -72.13 -47.11 53.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.295 -0.878 . . . . 0.0 109.591 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 146.62 15.23 0.16 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 67' ' ' VAL . 77.5 m-85 -97.01 112.38 24.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.26 -1.141 . . . . 0.0 109.422 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -59.45 84.63 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.272 -0.892 . . . . 0.0 109.406 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.645 HG21 ' HB1' ' A' ' 57' ' ' ALA . 5.0 p -63.1 137.55 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.398 -0.813 . . . . 0.0 109.655 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.63 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.5 OUTLIER -114.81 139.88 49.38 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.211 -0.93 . . . . 0.0 109.252 179.668 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.546 ' CD ' ' H ' ' A' ' 70' ' ' ALA . 15.7 tp10 -47.83 150.88 0.99 Allowed 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.263 -0.898 . . . . 0.0 109.412 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.546 ' H ' ' CD ' ' A' ' 69' ' ' GLU . . . -102.61 162.91 12.55 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.253 -0.904 . . . . 0.0 109.66 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -125.13 139.56 53.66 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.397 -0.814 . . . . 0.0 109.165 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.578 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 1.1 pm0 -61.12 121.73 13.22 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.285 -0.884 . . . . 0.0 109.681 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.5 t . . . . . 0 N--CA 1.489 1.505 0 O-C-N 121.225 -0.922 . . . . 0.0 109.263 179.777 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.919 ' H ' HD12 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -129.46 165.47 21.54 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.206 -0.934 . . . . 0.0 109.644 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.674 ' N ' HD12 ' A' ' 82' ' ' LEU . 8.1 mp -107.55 139.89 41.39 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.317 -0.864 . . . . 0.0 109.419 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.468 ' N ' ' HB1' ' A' ' 70' ' ' ALA . 2.3 t -125.45 107.73 10.95 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.254 -0.903 . . . . 0.0 109.832 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.625 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.8 OUTLIER -93.27 151.33 19.87 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.29 -0.881 . . . . 0.0 108.985 179.393 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.63 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -103.79 150.6 23.95 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.117 -0.989 . . . . 0.0 109.702 -179.735 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.404 ' HB3' ' HB2' ' A' ' 43' ' ' HIS . . . -130.24 140.15 50.73 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.399 -0.813 . . . . 0.0 109.427 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.9 143.74 50.69 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.232 -0.917 . . . . 0.0 109.537 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.13 115.76 5.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.222 -0.924 . . . . 0.0 109.518 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -76.09 133.77 40.2 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.224 -0.923 . . . . 0.0 109.416 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.3 p -167.58 161.73 13.83 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.157 -0.965 . . . . 0.0 109.485 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.83 133.74 49.72 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.209 -0.932 . . . . 0.0 109.467 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.48 85.01 0.1 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.23 -0.919 . . . . 0.0 109.382 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.24 126.4 31.46 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.173 -0.954 . . . . 0.0 109.525 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -46.0 -59.82 2.63 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.201 -0.937 . . . . 0.0 109.463 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 94' ' ' ALA . 2.0 mmtp -44.57 -48.53 10.31 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.257 -0.902 . . . . 0.0 109.494 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 mp -58.5 -55.77 30.8 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.173 -0.955 . . . . 0.0 109.645 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.432 ' O ' HG23 ' A' ' 101' ' ' VAL . 56.6 mt -57.14 -23.05 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.295 -0.878 . . . . 0.0 109.774 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -67.96 -54.83 15.61 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.137 -0.977 . . . . 0.0 109.392 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -67.68 -35.83 79.56 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.204 -0.935 . . . . 0.0 109.455 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.18 -50.94 71.68 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.242 -0.911 . . . . 0.0 109.438 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.571 HG13 ' CE2' ' A' ' 115' ' ' TYR . 91.4 t -64.24 -44.42 97.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.325 -0.86 . . . . 0.0 109.617 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -56.47 -29.31 61.59 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.185 -0.947 . . . . 0.0 109.468 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -72.6 -46.84 52.28 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.238 -0.914 . . . . 0.0 109.54 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 104' ' ' LEU . 96.7 mt -67.97 -38.82 83.21 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.186 -0.946 . . . . 0.0 109.506 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.3 t -66.75 -36.88 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.263 -0.898 . . . . 0.0 109.23 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -65.66 -59.14 4.23 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.22 -0.925 . . . . 0.0 109.29 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.44 ' CD1' ' OE2' ' A' ' 59' ' ' GLU . 1.6 tp -57.99 -35.91 71.89 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.286 -0.884 . . . . 0.0 109.142 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.06 -58.22 6.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.29 -0.881 . . . . 0.0 109.735 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.84 -19.41 62.56 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.213 -0.929 . . . . 0.0 109.782 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -82.11 -23.81 35.48 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.202 -0.936 . . . . 0.0 109.679 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.558 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 0.6 OUTLIER -99.31 -77.34 0.52 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.108 -0.995 . . . . 0.0 109.879 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.558 ' OD1' ' O ' ' A' ' 111' ' ' PHE . 3.2 m-20 162.49 36.9 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.104 -0.997 . . . . 0.0 109.55 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.544 HG22 ' HB2' ' A' ' 47' ' ' ALA . 16.7 pt -120.46 172.8 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.302 -0.874 . . . . 0.0 109.189 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.5 tt -112.89 135.01 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.158 -0.964 . . . . 0.0 109.519 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.641 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 20.4 t80 -106.93 89.61 3.05 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.198 -0.939 . . . . 0.0 109.412 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -146.2 78.19 1.51 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.24 -0.912 . . . . 0.0 109.55 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 170.48 62.66 0.04 OUTLIER Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.908 -1.277 . . . . 0.0 109.908 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.672 ' CE3' ' N ' ' A' ' 119' ' ' GLY . 2.3 p-90 -112.41 164.85 12.77 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.159 -1.201 . . . . 0.0 109.165 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.672 ' N ' ' CE3' ' A' ' 118' ' ' TRP . . . 168.5 159.61 14.52 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -116.18 166.11 12.4 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.36 -1.082 . . . . 0.0 109.372 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.518 0 O-C-N 121.187 -0.945 . . . . 0.0 109.468 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -68.46 -43.6 76.65 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.321 -0.862 . . . . 0.0 109.386 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.414 ' HB3' ' NE2' ' A' ' 17' ' ' GLN . 30.0 mt -63.78 -62.14 1.84 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.39 -0.819 . . . . 0.0 109.552 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 27.8 mt -49.84 -51.83 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.241 -0.912 . . . . 0.0 109.771 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -44.54 -64.31 0.72 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.305 -0.872 . . . . 0.0 109.948 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.526 ' O ' ' C ' ' A' ' 17' ' ' GLN . 72.1 mt -59.72 -59.9 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.162 -0.961 . . . . 0.0 109.735 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.526 ' C ' ' O ' ' A' ' 16' ' ' ILE . 29.6 mt-30 -35.96 -35.28 0.06 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.187 -0.946 . . . . 0.0 109.571 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.5 ' O ' ' C ' ' A' ' 19' ' ' GLU . 62.9 mttt -72.24 -67.85 0.51 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.267 -0.896 . . . . 0.0 109.29 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.5 ' C ' ' O ' ' A' ' 18' ' ' LYS . 5.8 mt-10 -39.66 -35.77 0.35 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.225 -0.922 . . . . 0.0 109.187 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 23' ' ' ASP . 12.2 mm-40 -67.8 -64.96 0.75 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.363 -0.836 . . . . 0.0 109.314 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.507 ' C ' ' O ' ' A' ' 20' ' ' GLU . 32.0 m -37.56 -46.29 0.83 Allowed 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.255 -0.903 . . . . 0.0 109.208 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.7 ' CG ' HH11 ' A' ' 22' ' ' ARG . 0.7 OUTLIER -59.71 -40.31 87.55 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.248 -0.908 . . . . 0.0 109.362 179.823 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.556 ' N ' ' O ' ' A' ' 20' ' ' GLU . 22.4 t0 -61.07 -44.49 97.29 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.313 -0.867 . . . . 0.0 109.281 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 70.9 mt -67.13 -64.25 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.254 -0.904 . . . . 0.0 109.378 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.401 HD13 HG22 ' A' ' 21' ' ' THR . 1.6 mp -46.28 -37.71 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.247 -0.908 . . . . 0.0 109.274 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.551 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 13.6 mm-40 -61.43 -42.9 99.47 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.284 -0.885 . . . . 0.0 109.38 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.16 -50.78 64.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.34 -0.85 . . . . 0.0 109.399 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.483 HD22 ' OH ' ' A' ' 39' ' ' TYR . 15.4 mt -54.16 -62.02 1.93 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.218 -0.926 . . . . 0.0 109.341 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' A' ' 29' ' ' LEU . 3.7 mm? -48.65 -50.01 34.88 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.152 -0.967 . . . . 0.0 109.017 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.562 ' OE2' ' O ' ' A' ' 30' ' ' GLU . 6.5 tp10 -51.61 -40.58 60.13 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.312 -0.868 . . . . 0.0 109.27 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.22 -48.49 81.26 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.295 -0.878 . . . . 0.0 109.441 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 131.5 14.7 1.7 Allowed Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.1 164.31 26.78 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.195 -1.18 . . . . 0.0 109.439 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.31 156.06 80.55 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.144 -0.972 . . . . 0.0 109.68 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -70.36 4.61 2.35 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.884 2.389 . . . . 0.0 111.966 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 36' ' ' ASP . 0.7 OUTLIER -92.03 -6.63 50.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.29 -0.881 . . . . 0.0 109.559 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -98.99 11.88 37.65 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.246 -0.909 . . . . 0.0 109.687 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 38' ' ' LEU . 3.8 mm? 54.43 171.6 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.123 -0.986 . . . . 0.0 109.542 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.483 ' OH ' HD22 ' A' ' 28' ' ' LEU . 1.5 m-85 -154.28 150.61 28.19 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.204 -0.935 . . . . 0.0 109.412 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.605 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 4.6 mp0 -104.7 119.93 40.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.202 -0.936 . . . . 0.0 109.72 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.649 HD12 ' N ' ' A' ' 41' ' ' ILE . 2.0 mp -106.27 128.08 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.337 -0.852 . . . . 0.0 109.139 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -116.76 135.54 53.67 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.121 -0.987 . . . . 0.0 109.875 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.47 ' ND1' ' HB2' ' A' ' 118' ' ' TRP . 90.3 m-70 -116.89 149.63 39.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.335 -0.853 . . . . 0.0 109.152 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 44.3 m170 -118.02 131.67 56.45 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.21 -0.931 . . . . 0.0 109.811 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.888 ' N ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -141.66 132.65 26.05 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.289 -0.882 . . . . 0.0 109.365 179.761 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.74 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -125.45 163.58 22.34 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.206 -0.934 . . . . 0.0 109.475 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.557 ' HB1' ' HE2' ' A' ' 52' ' ' LYS . . . -150.12 166.61 29.27 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.259 -0.9 . . . . 0.0 109.573 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -103.63 -34.0 8.78 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.243 -0.911 . . . . 0.0 109.404 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.557 ' H ' ' HZ1' ' A' ' 52' ' ' LYS . 92.3 m-20 -99.53 109.73 22.24 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.352 -0.843 . . . . 0.0 109.318 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -50.31 -22.8 1.95 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.216 -0.928 . . . . 0.0 109.678 -179.81 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -60.04 -67.36 0.4 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.144 -0.972 . . . . 0.0 109.67 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.557 ' HE2' ' HB1' ' A' ' 47' ' ' ALA . 5.5 pttt -60.92 -32.56 72.04 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.256 -0.902 . . . . 0.0 109.814 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.512 HD12 ' HB3' ' A' ' 47' ' ' ALA . 7.3 tt -55.4 -43.95 75.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.301 -0.874 . . . . 0.0 109.79 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.09 -46.73 61.23 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.136 -0.978 . . . . 0.0 109.766 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 111' ' ' PHE . 7.4 mtpp -57.29 -43.26 83.02 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.217 -0.927 . . . . 0.0 109.829 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.39 -37.61 80.55 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.195 -0.941 . . . . 0.0 109.904 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.85 -49.28 68.73 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.133 -0.98 . . . . 0.0 109.67 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.5 t -53.69 -61.78 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.262 -0.899 . . . . 0.0 109.621 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -47.07 -45.14 21.61 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.284 -0.885 . . . . 0.0 109.66 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.419 ' HA ' ' SD ' ' A' ' 63' ' ' MET . . . -57.72 -45.22 86.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.175 -0.953 . . . . 0.0 109.497 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 61' ' ' PHE . 21.8 t80 -55.84 -41.31 74.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.239 -0.913 . . . . 0.0 109.55 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.6 tttm -74.78 -24.43 58.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.235 -0.916 . . . . 0.0 109.459 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.419 ' SD ' ' HA ' ' A' ' 60' ' ' ALA . 19.8 mtp -75.19 -42.86 54.78 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.265 -0.897 . . . . 0.0 109.494 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.69 ' O ' ' CG ' ' A' ' 65' ' ' PHE . . . 133.9 75.27 0.09 OUTLIER Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.69 ' CG ' ' O ' ' A' ' 64' ' ' GLY . 97.3 m-85 -164.23 108.37 0.96 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.235 -1.156 . . . . 0.0 109.527 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 87' ' ' THR . 2.7 mm-40 -58.03 85.11 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.149 -0.969 . . . . 0.0 109.194 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.509 ' N ' ' O ' ' A' ' 65' ' ' PHE . 2.1 p -60.91 140.2 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.27 -0.894 . . . . 0.0 109.967 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 tp -119.84 146.02 46.11 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.318 -0.864 . . . . 0.0 109.256 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.456 ' HG3' ' H ' ' A' ' 70' ' ' ALA . 6.5 tt0 -48.02 158.9 0.21 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.288 -0.883 . . . . 0.0 109.836 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.608 ' HB1' ' H ' ' A' ' 83' ' ' CYS . . . -100.48 169.67 8.92 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.392 -0.817 . . . . 0.0 109.385 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.543 ' O ' ' C ' ' A' ' 72' ' ' GLU . 4.5 tt0 -135.65 109.62 8.2 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.282 -0.886 . . . . 0.0 109.575 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.547 ' CD ' ' O ' ' A' ' 72' ' ' GLU . 1.4 pp20? -35.55 112.32 0.16 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.396 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.173 -0.954 . . . . 0.0 109.529 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.0 tttp . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 pp -127.77 168.81 14.61 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.209 -0.932 . . . . 0.0 109.477 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 82' ' ' LEU . 4.9 mp -101.76 137.89 39.46 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.249 -0.907 . . . . 0.0 109.638 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.608 ' H ' ' HB1' ' A' ' 70' ' ' ALA . 0.1 OUTLIER -135.68 99.89 4.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.319 -0.863 . . . . 0.0 109.563 -179.849 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.556 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 2.0 p90 -91.53 159.55 15.87 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.069 -1.02 . . . . 0.0 109.179 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -111.07 168.38 9.54 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.169 -0.957 . . . . 0.0 109.983 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.69 ' HB1' ' HB3' ' A' ' 65' ' ' PHE . . . -142.47 115.18 8.62 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.427 -0.796 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -98.8 153.52 18.7 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.276 -0.89 . . . . 0.0 109.461 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.4 tpt -156.88 103.4 2.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.255 -0.903 . . . . 0.0 109.424 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.53 ' NE2' ' HG3' ' A' ' 40' ' ' GLU . 4.1 tp60 -70.35 120.41 15.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.257 -0.902 . . . . 0.0 109.281 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 91' ' ' ALA . 1.0 OUTLIER -155.2 155.02 33.15 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.186 -0.946 . . . . 0.0 109.603 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 90' ' ' SER . . . -53.32 -173.36 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.193 -0.942 . . . . 0.0 109.382 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 39' ' ' TYR . 4.1 tp -113.02 110.13 19.98 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.284 -0.885 . . . . 0.0 109.53 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -159.36 122.94 3.74 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.236 -0.915 . . . . 0.0 109.463 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.8 -45.15 67.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.314 -0.866 . . . . 0.0 109.385 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.594 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.8 OUTLIER -57.06 -67.77 0.29 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.223 -0.923 . . . . 0.0 109.455 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.465 HD22 ' HA ' ' A' ' 96' ' ' LEU . 0.2 OUTLIER -41.76 -50.36 4.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.206 -0.934 . . . . 0.0 109.374 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 45.6 mt -62.92 -20.58 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.333 -0.855 . . . . 0.0 109.545 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.594 ' N ' ' O ' ' A' ' 95' ' ' LYS . 33.0 t0 -72.92 -39.6 66.15 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.187 -0.946 . . . . 0.0 109.378 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.63 -45.76 28.7 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.256 -0.902 . . . . 0.0 109.266 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -54.25 -50.31 67.51 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.245 -0.909 . . . . 0.0 109.225 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.481 ' O ' ' C ' ' A' ' 102' ' ' GLU . 70.9 t -61.87 -58.82 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.322 -0.862 . . . . 0.0 109.121 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.587 ' OE2' ' ND2' ' A' ' 106' ' ' ASN . 1.5 tm-20 -41.06 -41.52 1.73 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.258 -0.901 . . . . 0.0 109.098 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -62.06 -43.32 99.09 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.276 -0.89 . . . . 0.0 109.262 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.456 ' HA ' HD23 ' A' ' 104' ' ' LEU . 21.9 mt -64.16 -63.78 1.06 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.304 -0.872 . . . . 0.0 109.278 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.2 t -44.74 -36.85 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.31 -0.869 . . . . 0.0 109.501 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.587 ' ND2' ' OE2' ' A' ' 102' ' ' GLU . 11.3 m-80 -63.34 -51.15 67.14 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.247 -0.908 . . . . 0.0 109.461 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 110' ' ' LYS . 15.7 tp -66.14 -53.31 39.34 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.257 -0.902 . . . . 0.0 109.406 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 107' ' ' LEU . . . -44.98 -44.08 9.58 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.298 -0.876 . . . . 0.0 109.576 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -79.01 -16.86 56.31 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.301 -0.875 . . . . 0.0 109.562 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 107' ' ' LEU . 2.6 tmtm? -75.25 -26.79 59.14 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.293 -0.879 . . . . 0.0 109.768 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 55' ' ' LYS . 5.5 m-85 -100.44 -77.41 0.53 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.1 -1.0 . . . . 0.0 109.776 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.473 ' CG ' ' O ' ' A' ' 111' ' ' PHE . 0.9 OUTLIER 167.23 34.13 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.971 -1.08 . . . . 0.0 109.921 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.7 pt -118.28 167.92 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.052 -1.03 . . . . 0.0 109.519 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -112.78 101.14 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.321 -0.862 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.594 ' C ' ' CD1' ' A' ' 115' ' ' TYR . 0.2 OUTLIER -91.72 113.53 25.82 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.347 -0.846 . . . . 0.0 109.486 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.576 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 12.2 p-10 -160.84 80.03 0.63 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.233 -0.917 . . . . 0.0 109.424 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 170.87 84.61 0.06 OUTLIER Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.47 ' HB2' ' ND1' ' A' ' 43' ' ' HIS . 8.8 p-90 -120.0 151.02 39.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.242 -1.152 . . . . 0.0 109.549 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -164.26 159.86 32.78 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.536 ' OG1' ' O ' ' A' ' 40' ' ' GLU . 2.3 t -133.47 167.33 20.63 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.128 -1.219 . . . . 0.0 109.586 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.524 ' CD1' ' N ' ' A' ' 121' ' ' TYR . 10.4 m-85 . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.241 -0.912 . . . . 0.0 109.432 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.264 0.554 . . . . 0.0 109.708 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.51 ' O ' ' C ' ' A' ' 13' ' ' LEU . 2.7 mm-40 -74.83 -65.76 0.83 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.16 -0.963 . . . . 0.0 109.511 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.51 ' C ' ' O ' ' A' ' 12' ' ' GLU . 1.4 mt -37.25 -37.46 0.18 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.269 -0.894 . . . . 0.0 109.712 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.0 mt -68.9 -55.49 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.151 -0.968 . . . . 0.0 109.58 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.43 -53.87 39.62 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.24 -0.913 . . . . 0.0 109.492 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 67.3 mt -48.61 -58.91 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.25 -0.906 . . . . 0.0 109.788 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.457 ' O ' ' C ' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -51.14 -53.37 35.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.321 -0.862 . . . . 0.0 109.707 -179.614 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 17' ' ' GLN . 14.3 mtmt -40.66 -50.02 3.04 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.207 -0.933 . . . . 0.0 109.982 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -72.46 -49.98 29.45 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.224 -0.922 . . . . 0.0 110.006 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -49.75 -60.09 3.21 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.167 -0.958 . . . . 0.0 109.891 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.535 ' O ' ' N ' ' A' ' 24' ' ' ILE . 5.5 m -53.0 -60.43 3.29 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.233 -0.917 . . . . 0.0 109.656 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.532 ' C ' ' O ' ' A' ' 21' ' ' THR . 6.6 mmm180 -35.89 -45.99 0.44 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.154 -0.966 . . . . 0.0 109.528 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -61.49 -42.48 98.85 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.253 -0.904 . . . . 0.0 109.383 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.535 ' N ' ' O ' ' A' ' 21' ' ' THR . 27.8 mt -66.39 -66.92 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.293 -0.879 . . . . 0.0 109.566 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.52 HG12 HG22 ' A' ' 21' ' ' THR . 12.2 mm -44.09 -33.3 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.152 -0.968 . . . . 0.0 109.488 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 14.6 mm-40 -69.19 -61.25 1.87 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.276 -0.89 . . . . 0.0 109.394 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.71 -49.61 19.2 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.282 -0.886 . . . . 0.0 109.447 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.523 ' O ' ' C ' ' A' ' 29' ' ' LEU . 5.0 mp -59.05 -70.82 0.14 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.23 -0.919 . . . . 0.0 109.442 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.523 ' C ' ' O ' ' A' ' 28' ' ' LEU . 15.1 mt -36.53 -53.35 0.87 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.256 -0.903 . . . . 0.0 109.523 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -53.35 -41.3 65.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.276 -0.89 . . . . 0.0 109.635 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 28' ' ' LEU . 2.1 t0 -56.56 -27.98 59.04 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.208 -0.932 . . . . 0.0 109.508 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.36 -1.8 16.26 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.484 ' HG ' ' HH ' ' A' ' 39' ' ' TYR . 2.8 t -72.98 114.44 11.13 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.307 -1.114 . . . . 0.0 109.42 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.82 153.21 39.48 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.199 -0.938 . . . . 0.0 109.418 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.479 ' HB3' ' H ' ' A' ' 92' ' ' LEU . 19.6 Cg_endo -61.59 -21.07 71.12 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.837 2.358 . . . . 0.0 112.213 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -57.08 -5.22 0.24 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.307 -0.871 . . . . 0.0 109.461 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.487 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -109.7 14.92 23.13 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.282 -0.886 . . . . 0.0 109.345 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.487 ' O ' ' O ' ' A' ' 37' ' ' ALA . 3.1 mt 55.9 160.43 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.288 -0.882 . . . . 0.0 109.729 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.484 ' HH ' ' HG ' ' A' ' 33' ' ' SER . 1.4 m-85 -154.64 147.26 24.2 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.327 -0.858 . . . . 0.0 109.202 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -108.73 143.9 37.24 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.188 -0.945 . . . . 0.0 109.72 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 42' ' ' GLU . 4.6 mp -126.15 160.42 33.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.338 -0.851 . . . . 0.0 109.282 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.504 ' N ' HG22 ' A' ' 41' ' ' ILE . 85.9 tt0 -142.68 136.58 29.18 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.127 -0.983 . . . . 0.0 109.698 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -115.62 150.73 36.22 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.288 -0.883 . . . . 0.0 109.329 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -119.0 120.23 36.62 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.259 -0.901 . . . . 0.0 109.322 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.484 ' HB2' ' CE2' ' A' ' 84' ' ' PHE . 1.5 mp -128.3 140.38 51.91 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.2 -0.938 . . . . 0.0 109.629 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.578 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -130.88 155.15 47.23 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.275 -0.891 . . . . 0.0 109.503 179.805 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.537 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -135.42 179.14 6.51 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.324 -0.86 . . . . 0.0 109.475 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -121.21 -15.89 8.07 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.227 -0.92 . . . . 0.0 109.561 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.545 ' O ' ' C ' ' A' ' 50' ' ' PHE . 7.9 t0 -113.63 103.86 11.66 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.21 -0.931 . . . . 0.0 109.484 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.545 ' C ' ' O ' ' A' ' 49' ' ' ASP . 0.3 OUTLIER -35.07 -44.8 0.25 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.243 -0.911 . . . . 0.0 109.655 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.05 -52.92 62.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.236 -0.915 . . . . 0.0 109.694 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.47 ' NZ ' ' OD2' ' A' ' 112' ' ' ASP . 0.6 OUTLIER -64.44 -16.8 63.05 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.28 -0.888 . . . . 0.0 109.601 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.537 HD12 ' HB3' ' A' ' 47' ' ' ALA . 4.0 tt -80.02 -59.97 2.52 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.231 -0.918 . . . . 0.0 109.568 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -60.6 -18.97 56.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.202 -0.936 . . . . 0.0 109.547 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -80.75 -49.94 10.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.172 -0.955 . . . . 0.0 109.469 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.43 -31.99 70.68 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.172 -0.955 . . . . 0.0 109.255 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.92 -58.35 5.16 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.346 -0.847 . . . . 0.0 109.343 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.1 t -49.48 -55.04 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.317 -0.864 . . . . 0.0 109.174 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -46.89 -44.66 19.88 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.328 -0.857 . . . . 0.0 109.228 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.1 -34.86 72.5 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.31 -0.869 . . . . 0.0 109.304 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.76 -40.21 76.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.314 -0.866 . . . . 0.0 109.242 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -58.82 -35.92 73.67 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.24 -0.913 . . . . 0.0 109.489 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.59 -59.48 3.91 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.244 -0.91 . . . . 0.0 109.573 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 159.35 11.57 0.04 OUTLIER Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.473 ' CE2' HD11 ' A' ' 104' ' ' LEU . 70.0 m-85 -92.14 137.42 32.38 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.261 -1.141 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.04 84.11 7.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.211 -0.931 . . . . 0.0 109.343 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.4 p -51.62 150.05 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.349 -0.844 . . . . 0.0 109.64 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.636 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.6 OUTLIER -128.12 141.33 51.52 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.337 -0.852 . . . . 0.0 109.212 179.724 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 68' ' ' LEU . 2.1 tt0 -40.43 144.5 0.23 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.308 -0.87 . . . . 0.0 109.858 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.72 179.95 5.08 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.411 -0.806 . . . . 0.0 109.308 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 73' ' ' THR . 20.4 tt0 -152.56 117.62 5.17 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.269 -0.895 . . . . 0.0 109.499 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 71' ' ' GLU . 2.9 mt-10 -44.3 100.17 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.232 -0.918 . . . . 0.0 109.419 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 71' ' ' GLU . 11.1 t . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.248 -0.907 . . . . 0.0 109.344 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.529 ' H ' HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -101.4 166.53 10.69 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.22 -0.925 . . . . 0.0 109.675 -179.868 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.511 ' N ' HD12 ' A' ' 82' ' ' LEU . 6.9 mp -105.26 127.76 53.1 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.245 -0.909 . . . . 0.0 109.227 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 9.9 t -126.33 113.2 16.61 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.313 -0.867 . . . . 0.0 110.012 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.658 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.3 OUTLIER -96.63 154.42 17.29 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.244 -0.91 . . . . 0.0 108.779 179.31 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.636 ' O ' ' N ' ' A' ' 68' ' ' LEU . 1.2 m-20 -108.52 149.25 29.09 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.125 -0.984 . . . . 0.0 110.152 -179.321 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.463 ' HB1' ' HB3' ' A' ' 65' ' ' PHE . . . -130.8 129.24 42.15 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.475 -0.766 . . . . 0.0 109.008 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.29 155.67 21.76 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.107 -0.996 . . . . 0.0 109.985 -179.588 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 6.0 ttm -151.57 120.5 6.63 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.509 -0.745 . . . . 0.0 109.155 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.97 127.48 39.78 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.283 -0.886 . . . . 0.0 109.546 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.472 ' OG ' ' N ' ' A' ' 91' ' ' ALA . 1.8 t -164.41 177.42 8.22 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.283 -0.886 . . . . 0.0 109.357 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.472 ' N ' ' OG ' ' A' ' 90' ' ' SER . . . -72.01 176.15 5.31 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.224 -0.923 . . . . 0.0 109.565 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.479 ' H ' ' HB3' ' A' ' 35' ' ' PRO . 6.5 tp -95.65 103.47 15.35 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.242 -0.911 . . . . 0.0 109.504 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -148.21 138.47 22.69 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.201 -0.937 . . . . 0.0 109.461 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.69 -45.7 18.49 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.24 -0.913 . . . . 0.0 109.846 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -50.98 -51.38 53.34 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.141 -0.974 . . . . 0.0 109.558 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 tp -63.06 -52.41 62.87 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.199 -0.938 . . . . 0.0 109.456 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 43.7 mt -51.97 -29.61 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.269 -0.894 . . . . 0.0 109.467 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -69.79 -44.92 69.08 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.188 -0.945 . . . . 0.0 109.355 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -69.24 -40.33 77.96 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.197 -0.939 . . . . 0.0 109.255 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -61.59 -52.26 65.12 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.33 -0.857 . . . . 0.0 109.281 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.421 ' O ' HG23 ' A' ' 105' ' ' VAL . 47.6 t -59.42 -49.25 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.301 -0.874 . . . . 0.0 109.231 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -57.45 -25.32 59.5 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.308 -0.87 . . . . 0.0 109.081 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.97 -52.3 17.8 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.361 -0.837 . . . . 0.0 109.308 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.473 HD11 ' CE2' ' A' ' 65' ' ' PHE . 28.5 mt -66.65 -29.84 69.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.307 -0.871 . . . . 0.0 109.457 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.509 HG22 ' CD2' ' A' ' 115' ' ' TYR . 54.7 t -64.86 -52.99 47.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.239 -0.913 . . . . 0.0 109.533 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -59.27 -40.56 86.46 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.174 -0.954 . . . . 0.0 109.539 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.67 -39.77 88.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.213 -0.93 . . . . 0.0 109.471 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.91 -63.52 1.27 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.261 -0.899 . . . . 0.0 109.432 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -59.27 -30.77 68.54 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.272 -0.892 . . . . 0.0 109.345 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -59.99 -33.22 71.68 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.23 -0.919 . . . . 0.0 109.528 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.489 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 10.2 m-85 -93.86 -76.84 0.47 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.222 -0.924 . . . . 0.0 109.594 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.5 OUTLIER 165.39 37.71 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.184 -0.948 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.8 pt -123.43 -179.9 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.331 -0.855 . . . . 0.0 109.521 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.795 HD12 ' N ' ' A' ' 115' ' ' TYR . 0.1 OUTLIER -123.09 120.78 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.295 -0.878 . . . . 0.0 109.556 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.795 ' N ' HD12 ' A' ' 114' ' ' ILE . 4.4 t80 -101.08 109.55 21.46 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.288 -0.882 . . . . 0.0 109.334 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -160.58 86.65 0.73 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.255 -0.903 . . . . 0.0 109.545 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 160.69 79.51 0.03 OUTLIER Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.491 ' CZ2' HG23 ' A' ' 21' ' ' THR . 5.6 p-90 -123.67 158.51 31.41 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.272 -1.134 . . . . 0.0 109.581 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.469 ' N ' ' CE3' ' A' ' 118' ' ' TRP . . . -176.25 177.55 47.79 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.04 157.99 43.95 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.114 -1.227 . . . . 0.0 109.541 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.235 -0.916 . . . . 0.0 109.566 179.923 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.319 0.58 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -67.19 -46.97 72.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.227 -0.921 . . . . 0.0 109.641 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 mt -65.0 -23.98 67.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.288 -0.882 . . . . 0.0 109.813 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.8 mt -72.45 -46.73 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.18 -0.95 . . . . 0.0 109.659 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -62.32 -54.32 42.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.114 -0.991 . . . . 0.0 109.463 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.528 ' O ' ' C ' ' A' ' 17' ' ' GLN . 36.6 mt -59.69 -62.21 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.52 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.656 ' HG2' HG11 ' A' ' 101' ' ' VAL . 5.4 tp60 -35.86 -47.79 0.53 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.268 -0.895 . . . . 0.0 109.324 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.604 ' NZ ' ' OD2' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -53.32 -57.75 9.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.304 -0.873 . . . . 0.0 109.181 179.702 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -48.82 -43.37 38.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.267 -0.896 . . . . 0.0 109.139 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -59.06 -53.31 59.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.257 -0.902 . . . . 0.0 109.343 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -55.56 -63.08 1.28 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.301 -0.874 . . . . 0.0 109.725 -179.866 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' THR . 15.9 mtm180 -42.89 -38.65 2.26 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.249 -0.907 . . . . 0.0 109.772 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -60.84 -49.34 77.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.236 -0.915 . . . . 0.0 109.797 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' A' ' 25' ' ' ILE . 41.9 mt -65.76 -59.64 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.233 -0.917 . . . . 0.0 109.736 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 24' ' ' ILE . 11.0 mm -43.63 -29.07 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.199 -0.938 . . . . 0.0 109.685 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -77.71 -52.27 9.23 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.188 -0.945 . . . . 0.0 109.587 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.47 -33.14 72.15 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.266 -0.896 . . . . 0.0 109.445 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 28' ' ' LEU . 9.9 mt -68.66 -45.28 72.17 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.264 -0.897 . . . . 0.0 109.496 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.43 ' HA ' HD22 ' A' ' 29' ' ' LEU . 1.6 mm? -67.95 -53.21 27.97 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.215 -0.928 . . . . 0.0 109.321 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -48.33 -44.35 34.06 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.307 -0.87 . . . . 0.0 109.391 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.17 -34.98 59.22 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.27 -0.894 . . . . 0.0 109.454 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.34 21.25 7.01 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.386 -1.486 . . . . 0.0 109.386 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 95.0 p -48.66 167.42 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.346 -1.091 . . . . 0.0 109.658 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.74 77.14 74.45 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.331 -0.856 . . . . 0.0 109.323 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -53.74 -22.39 22.95 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.901 2.401 . . . . 0.0 112.278 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -49.86 -16.8 0.29 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.237 -0.914 . . . . 0.0 109.641 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -91.21 -102.72 0.1 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.168 -0.957 . . . . 0.0 109.52 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.7 tp -155.72 162.65 40.51 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.312 -0.867 . . . . 0.0 109.384 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -141.32 138.31 33.04 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.243 -0.91 . . . . 0.0 109.579 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.739 ' C ' HD12 ' A' ' 41' ' ' ILE . 4.8 pt-20 -108.82 142.41 39.44 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.311 -0.868 . . . . 0.0 109.522 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.809 HD12 ' N ' ' A' ' 41' ' ' ILE . 3.4 mp -125.49 156.77 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.375 -0.828 . . . . 0.0 109.203 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.417 ' N ' HG22 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -140.11 135.05 32.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.101 -0.999 . . . . 0.0 109.654 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -119.93 135.29 54.96 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.345 -0.847 . . . . 0.0 109.11 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -105.55 137.28 43.65 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.23 -0.919 . . . . 0.0 109.804 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.589 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 2.6 mp -141.66 126.96 18.64 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.413 -0.804 . . . . 0.0 109.2 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.794 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -108.63 159.69 16.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.209 -0.932 . . . . 0.0 109.504 -179.842 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.409 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -136.97 165.6 25.6 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.275 -0.891 . . . . 0.0 109.588 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -105.12 -23.34 12.94 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.199 -0.938 . . . . 0.0 109.33 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.673 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -114.94 116.47 28.56 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.297 -0.877 . . . . 0.0 109.276 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.439 ' C ' ' O ' ' A' ' 49' ' ' ASP . 2.1 p90 -43.68 -38.29 3.04 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.174 -0.954 . . . . 0.0 109.368 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -62.81 -72.51 0.13 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.228 -0.92 . . . . 0.0 109.267 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.507 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -37.21 -33.57 0.06 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.296 -0.877 . . . . 0.0 109.352 179.827 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 51' ' ' ASP . 4.6 tt -64.66 -42.22 95.55 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.32 -0.863 . . . . 0.0 109.407 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 51' ' ' ASP . 6.8 tt0 -69.37 -25.9 64.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.306 -0.871 . . . . 0.0 109.822 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.07 -63.74 1.35 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.165 -0.96 . . . . 0.0 109.965 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.05 -29.2 43.07 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.214 -0.929 . . . . 0.0 109.79 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.96 -46.09 46.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.185 -0.947 . . . . 0.0 109.697 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.4 t -59.5 -28.7 40.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.247 -0.908 . . . . 0.0 109.634 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -72.55 -54.75 8.3 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.248 -0.908 . . . . 0.0 109.688 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.26 -42.98 70.56 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.233 -0.917 . . . . 0.0 109.624 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -61.07 -40.63 94.42 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.183 -0.948 . . . . 0.0 109.554 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -63.91 -26.24 68.51 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.196 -0.94 . . . . 0.0 109.51 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 13.7 mtm -78.38 -29.63 47.45 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.2 -0.938 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.26 -16.22 4.15 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.482 ' HB3' ' HB1' ' A' ' 86' ' ' ALA . 82.4 m-85 -60.72 133.76 56.42 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.289 -1.124 . . . . 0.0 109.433 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.32 80.3 9.2 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.211 -0.931 . . . . 0.0 109.216 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 p -54.38 133.22 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.276 -0.89 . . . . 0.0 109.561 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.64 HD23 ' N ' ' A' ' 69' ' ' GLU . 1.1 tt -114.0 138.42 50.39 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.273 -0.892 . . . . 0.0 109.286 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.64 ' N ' HD23 ' A' ' 68' ' ' LEU . 3.6 mp0 -38.45 162.17 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.214 -0.928 . . . . 0.0 109.586 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.63 179.11 4.37 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.267 -0.895 . . . . 0.0 109.645 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.552 ' O ' ' C ' ' A' ' 72' ' ' GLU . 16.1 tt0 -147.55 103.5 3.54 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.364 -0.835 . . . . 0.0 109.236 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.552 ' C ' ' O ' ' A' ' 71' ' ' GLU . 58.1 mt-10 -33.75 110.6 0.09 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.385 -0.822 . . . . 0.0 109.736 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.262 -0.899 . . . . 0.0 109.434 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.03 158.94 43.29 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.262 -0.899 . . . . 0.0 109.52 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.517 ' N ' HD12 ' A' ' 82' ' ' LEU . 6.7 mp -88.58 127.59 35.56 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.322 -0.861 . . . . 0.0 109.125 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.524 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 28.5 p -124.54 106.01 9.82 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.268 -0.895 . . . . 0.0 109.899 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.589 ' CE1' ' O ' ' A' ' 45' ' ' LEU . 13.2 p90 -97.42 156.48 16.45 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.116 -0.99 . . . . 0.0 108.827 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.582 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -126.64 168.01 14.91 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.033 -1.042 . . . . 0.0 110.049 -179.485 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.482 ' HB1' ' HB3' ' A' ' 65' ' ' PHE . . . -142.05 152.22 43.15 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.436 -0.79 . . . . 0.0 109.063 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.2 p -130.84 156.96 44.13 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.189 -0.944 . . . . 0.0 109.706 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 15.2 ttm -153.56 116.8 4.59 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.321 -0.862 . . . . 0.0 109.549 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.548 ' OE1' ' N ' ' A' ' 89' ' ' GLN . 7.4 mp0 -85.74 133.19 34.01 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.203 -0.936 . . . . 0.0 109.272 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.7 p -166.16 -172.5 2.29 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.211 -0.931 . . . . 0.0 109.543 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.503 ' O ' ' C ' ' A' ' 92' ' ' LEU . . . -93.33 120.42 33.59 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.353 -0.842 . . . . 0.0 109.542 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.521 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 29.3 tp -37.68 134.2 0.72 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.22 -0.925 . . . . 0.0 109.498 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.521 ' CG ' ' O ' ' A' ' 92' ' ' LEU . 4.7 m-20 -178.67 113.18 0.06 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.219 -0.926 . . . . 0.0 109.367 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -46.42 -69.06 0.14 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.245 -0.91 . . . . 0.0 109.625 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' A' ' 94' ' ' ALA . 9.0 mtmt -39.88 -48.15 2.26 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.258 -0.901 . . . . 0.0 109.916 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.89 -54.88 42.12 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.118 -0.989 . . . . 0.0 109.729 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 33.4 mt -57.8 -30.21 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.16 -0.962 . . . . 0.0 109.622 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.604 ' OD2' ' NZ ' ' A' ' 18' ' ' LYS . 1.8 m-20 -63.2 -41.61 99.2 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.215 -0.928 . . . . 0.0 109.384 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -65.15 -40.82 94.9 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.298 -0.876 . . . . 0.0 109.232 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -64.29 -49.11 73.1 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.266 -0.896 . . . . 0.0 109.611 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.681 ' O ' HG23 ' A' ' 105' ' ' VAL . 59.6 t -65.87 -60.62 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.203 -0.935 . . . . 0.0 109.525 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 106' ' ' ASN . 35.0 tt0 -45.48 -31.82 1.92 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.203 -0.936 . . . . 0.0 109.497 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -72.7 -61.04 1.95 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.193 -0.942 . . . . 0.0 109.486 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.54 ' O ' ' HB2' ' A' ' 108' ' ' ALA . 14.6 mt -56.63 -15.61 4.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.204 -0.935 . . . . 0.0 109.445 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 101' ' ' VAL . 92.3 t -83.9 -68.39 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.361 -0.837 . . . . 0.0 109.486 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.555 ' ND2' ' H ' ' A' ' 106' ' ' ASN . 0.3 OUTLIER -50.76 -37.78 44.08 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.28 -0.888 . . . . 0.0 109.466 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.4 tt -72.45 -39.82 67.5 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.254 -0.904 . . . . 0.0 109.468 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 104' ' ' LEU . . . -53.29 -54.61 33.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.24 -0.913 . . . . 0.0 109.601 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -70.75 -34.14 71.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.282 -0.886 . . . . 0.0 109.45 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -58.89 -22.33 59.23 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.217 -0.927 . . . . 0.0 109.2 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.503 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 7.4 m-85 -100.59 -76.73 0.55 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.281 -0.887 . . . . 0.0 109.044 179.561 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.6 OUTLIER 163.75 33.89 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.381 -0.824 . . . . 0.0 109.542 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 8.8 pt -120.06 178.47 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.158 -0.964 . . . . 0.0 109.552 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.537 HG23 ' CD2' ' A' ' 46' ' ' PHE . 0.9 OUTLIER -120.37 110.62 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.262 -0.898 . . . . 0.0 109.517 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.484 ' OH ' HG13 ' A' ' 101' ' ' VAL . 5.1 t80 -87.38 125.89 34.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.251 -0.906 . . . . 0.0 109.419 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -176.9 81.59 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.205 -0.934 . . . . 0.0 109.358 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 160.11 80.99 0.04 OUTLIER Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 3.6 p-90 -122.65 147.0 46.95 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.208 -1.172 . . . . 0.0 109.43 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -162.41 172.37 38.49 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -137.49 177.01 8.19 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.224 -1.163 . . . . 0.0 109.384 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.46 ' N ' ' OG1' ' A' ' 120' ' ' THR . 6.9 t80 . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.351 -0.843 . . . . 0.0 109.561 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.534 ' CD ' ' OE2' ' A' ' 12' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.24 0.543 . . . . 0.0 109.646 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.534 ' OE2' ' CD ' ' A' ' 11' ' ' GLU . 23.4 mm-40 -66.4 -48.18 70.92 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.185 -0.947 . . . . 0.0 109.493 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.4 mt -56.67 -33.91 66.86 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.217 -0.927 . . . . 0.0 109.494 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.7 mt -65.72 -51.26 64.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.305 -0.872 . . . . 0.0 109.501 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -63.03 1.27 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.224 -0.923 . . . . 0.0 109.401 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.414 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.4 mp -53.86 -45.64 63.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.296 -0.878 . . . . 0.0 109.477 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.477 ' OE1' ' OG1' ' A' ' 21' ' ' THR . 5.1 tp-100 -58.91 -18.84 36.95 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.367 -0.833 . . . . 0.0 109.662 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -83.57 -60.38 2.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.202 -0.936 . . . . 0.0 109.683 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -48.8 -36.21 16.18 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.076 -1.015 . . . . 0.0 109.293 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -70.07 -51.69 29.9 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.322 -0.861 . . . . 0.0 109.509 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.477 ' OG1' ' OE1' ' A' ' 17' ' ' GLN . 9.1 m -55.3 -31.83 61.94 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.269 -0.895 . . . . 0.0 109.593 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -67.55 -48.15 67.77 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.074 -1.017 . . . . 0.0 109.562 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.22 -49.53 76.77 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.233 -0.917 . . . . 0.0 109.794 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.6 mt -58.53 -57.69 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.194 -0.942 . . . . 0.0 109.719 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 26' ' ' GLN . 1.1 mp -45.99 -59.18 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.284 -0.885 . . . . 0.0 109.53 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.465 ' N ' HG22 ' A' ' 25' ' ' ILE . 14.2 mm100 -47.25 -40.33 16.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.196 -0.94 . . . . 0.0 109.652 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.508 ' O ' ' C ' ' A' ' 28' ' ' LEU . . . -68.41 -66.28 0.59 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.219 -0.925 . . . . 0.0 109.632 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.508 ' C ' ' O ' ' A' ' 27' ' ' ALA . 79.9 mt -38.02 -39.62 0.41 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.211 -0.931 . . . . 0.0 109.58 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.608 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -66.05 -63.31 1.11 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.227 -0.92 . . . . 0.0 109.491 -179.86 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.509 ' O ' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -42.33 -30.85 0.35 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.172 -0.955 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -70.26 -18.14 63.13 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.258 -0.901 . . . . 0.0 109.287 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.608 ' N ' ' O ' ' A' ' 29' ' ' LEU . . . 85.87 33.87 14.51 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.2 p -60.97 -25.37 66.8 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.301 -1.117 . . . . 0.0 109.49 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.548 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER 57.85 88.4 0.12 Allowed Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.289 -0.882 . . . . 0.0 109.617 179.852 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -59.23 -1.33 0.87 Allowed 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.785 2.323 . . . . 0.0 111.971 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.71 -28.94 69.43 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.313 -0.867 . . . . 0.0 109.605 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.438 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -85.44 23.95 1.26 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.227 -0.921 . . . . 0.0 109.183 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.438 ' O ' ' O ' ' A' ' 37' ' ' ALA . 10.3 mt 56.99 164.17 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.278 -0.889 . . . . 0.0 109.164 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.555 ' CZ ' HD13 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -129.6 154.92 46.61 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.255 -0.903 . . . . 0.0 109.53 -179.845 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -106.2 122.63 46.61 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.304 -0.872 . . . . 0.0 109.484 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mm -99.5 143.1 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.193 -0.942 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -133.18 139.46 47.05 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.267 -0.896 . . . . 0.0 109.691 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -131.83 159.28 38.99 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.322 -0.862 . . . . 0.0 109.239 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.671 ' NE2' ' OD2' ' A' ' 85' ' ' ASP . 0.1 OUTLIER -134.72 122.01 21.57 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.198 -0.939 . . . . 0.0 109.689 -179.842 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.506 ' N ' HD12 ' A' ' 45' ' ' LEU . 5.2 mp -128.07 151.09 49.6 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.272 -0.893 . . . . 0.0 109.301 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.586 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -132.26 161.11 34.27 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.164 -0.96 . . . . 0.0 109.806 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.546 ' HB2' HG22 ' A' ' 113' ' ' ILE . . . -148.02 164.3 34.23 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.458 -0.776 . . . . 0.0 109.411 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -111.63 -1.73 15.64 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.271 -0.893 . . . . 0.0 109.461 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -117.64 124.75 49.35 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.25 -0.906 . . . . 0.0 109.712 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -64.21 -27.42 69.05 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.151 -0.968 . . . . 0.0 109.278 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.7 -55.17 6.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.261 -0.9 . . . . 0.0 109.365 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.0 -31.19 72.27 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.267 -0.895 . . . . 0.0 109.368 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.608 ' O ' HD23 ' A' ' 53' ' ' LEU . 5.5 tt -64.84 -42.64 94.75 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.285 -0.884 . . . . 0.0 109.566 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -74.34 -21.29 59.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.23 -0.919 . . . . 0.0 109.856 -179.822 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -82.32 -59.69 2.46 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.09 -1.006 . . . . 0.0 109.56 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.17 -34.64 68.66 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.203 -0.936 . . . . 0.0 109.796 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.01 -47.96 40.49 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.251 -0.906 . . . . 0.0 109.743 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 54' ' ' GLU . 6.5 t -54.33 -44.96 68.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.2 -0.937 . . . . 0.0 109.845 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -68.21 -39.62 82.34 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.108 -0.995 . . . . 0.0 109.737 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.99 -47.04 61.54 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.223 -0.923 . . . . 0.0 109.69 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.533 ' O ' ' C ' ' A' ' 62' ' ' LYS . 15.5 t80 -68.14 -59.89 2.89 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.221 -0.925 . . . . 0.0 109.671 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.533 ' C ' ' O ' ' A' ' 61' ' ' PHE . 9.1 tttm -36.76 -34.77 0.08 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.178 -0.951 . . . . 0.0 109.532 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.478 ' N ' ' O ' ' A' ' 61' ' ' PHE . 8.8 mtm -70.11 -55.75 8.65 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.189 -0.944 . . . . 0.0 109.504 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 161.49 -24.32 0.24 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -60.03 122.15 13.63 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.271 -1.135 . . . . 0.0 109.325 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.75 86.4 0.67 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.197 -0.939 . . . . 0.0 109.186 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -59.65 145.91 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.307 -0.871 . . . . 0.0 109.741 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.629 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -124.37 135.67 53.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.271 -0.893 . . . . 0.0 109.332 179.865 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 68' ' ' LEU . 1.1 mm-40 -41.46 153.79 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.279 -0.888 . . . . 0.0 109.684 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.425 ' HB1' ' N ' ' A' ' 83' ' ' CYS . . . -105.42 159.04 16.23 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.331 -0.855 . . . . 0.0 109.588 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -119.82 179.83 4.13 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.31 -0.868 . . . . 0.0 109.171 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -91.39 117.63 29.84 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.187 -0.946 . . . . 0.0 109.686 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.255 -0.903 . . . . 0.0 109.341 179.93 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.9 tttt . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.236 0.541 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.704 HD12 ' C ' ' A' ' 81' ' ' LEU . 1.9 pp -157.62 172.48 18.46 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.184 -0.948 . . . . 0.0 109.465 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.4 mp -112.33 141.91 45.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.18 -0.95 . . . . 0.0 109.449 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.425 ' N ' ' HB1' ' A' ' 70' ' ' ALA . 26.6 p -134.53 115.95 14.5 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.297 -0.877 . . . . 0.0 109.996 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.69 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -97.08 160.23 14.46 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.26 -0.9 . . . . 0.0 109.035 179.516 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.671 ' OD2' ' NE2' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -114.17 147.06 39.49 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.212 -0.93 . . . . 0.0 109.792 -179.595 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -120.49 140.14 51.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.31 -0.869 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.3 147.84 50.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.2 -0.938 . . . . 0.0 109.651 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.7 tpp -160.68 126.62 3.97 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.356 -0.84 . . . . 0.0 109.193 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.639 ' OE1' ' N ' ' A' ' 89' ' ' GLN . 6.6 mp0 -79.31 123.53 27.55 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.199 -0.938 . . . . 0.0 109.639 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.6 p -140.53 -172.32 3.41 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.386 -0.821 . . . . 0.0 109.298 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -100.71 137.71 38.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.193 -0.942 . . . . 0.0 109.501 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.555 HD13 ' CZ ' ' A' ' 39' ' ' TYR . 2.3 tp -57.82 103.72 0.15 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.148 -0.97 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -164.63 140.18 5.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.193 -0.942 . . . . 0.0 109.416 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.513 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -66.17 -71.69 0.19 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.199 -0.938 . . . . 0.0 109.347 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.513 ' C ' ' O ' ' A' ' 94' ' ' ALA . 23.6 mtpp -35.54 -45.9 0.38 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.285 -0.884 . . . . 0.0 109.518 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -59.03 -54.72 43.88 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.218 -0.926 . . . . 0.0 109.37 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.5 ' O ' HG23 ' A' ' 101' ' ' VAL . 6.9 mt -56.07 -28.62 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.195 -0.94 . . . . 0.0 109.31 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -64.5 -44.0 92.31 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.279 -0.888 . . . . 0.0 109.185 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.8 -51.41 69.46 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.254 -0.904 . . . . 0.0 109.404 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -58.6 -56.94 15.72 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.162 -0.961 . . . . 0.0 109.419 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.541 HG13 ' CE2' ' A' ' 115' ' ' TYR . 87.1 t -53.48 -24.2 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.313 -0.867 . . . . 0.0 109.251 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.01 -46.8 41.28 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.194 -0.941 . . . . 0.0 109.263 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.402 ' HE2' ' SD ' ' A' ' 63' ' ' MET . 15.9 tptt -63.22 -43.65 97.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.299 -0.876 . . . . 0.0 109.564 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.434 ' HA ' HD23 ' A' ' 104' ' ' LEU . 89.1 mt -67.07 -30.36 70.39 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.266 -0.896 . . . . 0.0 109.708 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.0 t -75.96 -50.09 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.164 -0.96 . . . . 0.0 109.625 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.36 -48.97 75.72 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.186 -0.946 . . . . 0.0 109.714 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.3 tp -62.54 -45.88 90.95 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.225 -0.922 . . . . 0.0 109.693 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.37 -60.13 3.84 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.33 -0.856 . . . . 0.0 109.976 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.97 -19.83 65.44 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.261 -0.899 . . . . 0.0 109.993 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.9 tptt -71.87 -29.76 64.7 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.101 -0.999 . . . . 0.0 109.595 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.516 ' O ' ' CG ' ' A' ' 112' ' ' ASP . 27.1 m-85 -97.32 -77.12 0.5 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.184 -0.947 . . . . 0.0 109.646 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.516 ' CG ' ' O ' ' A' ' 111' ' ' PHE . 2.0 m-20 169.56 35.49 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.206 -0.934 . . . . 0.0 109.434 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.546 HG22 ' HB2' ' A' ' 47' ' ' ALA . 7.0 pt -124.33 172.95 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.231 -0.918 . . . . 0.0 109.346 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.6 tt -119.68 145.76 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.196 -0.94 . . . . 0.0 109.604 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.541 ' CE2' HG13 ' A' ' 101' ' ' VAL . 1.2 t80 -111.78 97.6 6.81 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.324 -0.86 . . . . 0.0 109.164 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.75 80.93 1.82 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.233 -0.917 . . . . 0.0 109.542 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 162.19 80.15 0.04 OUTLIER Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.691 ' O ' ' CG ' ' A' ' 118' ' ' TRP . 3.1 p-90 -115.6 115.66 26.8 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.221 -1.164 . . . . 0.0 109.315 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -133.19 158.39 23.14 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.29 166.26 18.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.257 -1.143 . . . . 0.0 109.475 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.229 -0.92 . . . . 0.0 109.439 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -72.18 -56.78 4.98 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.569 -0.707 . . . . 0.0 109.297 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.402 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 5.0 mt -49.73 -48.26 50.19 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.32 -0.863 . . . . 0.0 109.276 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.456 ' O ' ' C ' ' A' ' 15' ' ' GLU . 19.4 mt -51.92 -65.77 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.334 -0.854 . . . . 0.0 109.368 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 14' ' ' ILE . 12.4 mm-40 -41.99 -57.98 2.24 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.347 -0.845 . . . . 0.0 109.298 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.484 ' O ' ' C ' ' A' ' 17' ' ' GLN . 64.1 mt -49.33 -67.49 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.325 -0.859 . . . . 0.0 109.415 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.492 ' O ' ' C ' ' A' ' 18' ' ' LYS . 3.8 mp0 -39.87 -54.62 2.13 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.191 -0.943 . . . . 0.0 109.228 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.492 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -38.54 -58.89 0.98 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.209 -0.932 . . . . 0.0 109.351 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.522 ' O ' ' C ' ' A' ' 20' ' ' GLU . 2.8 mt-10 -56.83 -66.21 0.48 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.244 -0.91 . . . . 0.0 109.513 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.522 ' C ' ' O ' ' A' ' 19' ' ' GLU . 4.0 mm-40 -36.2 -42.93 0.33 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.248 -0.907 . . . . 0.0 109.622 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 22' ' ' ARG . 2.1 m -58.94 -61.45 2.62 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.254 -0.904 . . . . 0.0 109.565 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 21' ' ' THR . 8.2 ttp180 -43.07 -44.87 5.04 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.274 -0.891 . . . . 0.0 109.47 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.66 -48.06 72.8 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.296 -0.877 . . . . 0.0 109.267 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.574 ' O ' ' N ' ' A' ' 26' ' ' GLN . 14.9 mt -70.65 -67.16 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.37 -0.831 . . . . 0.0 109.452 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.502 ' C ' ' O ' ' A' ' 24' ' ' ILE . 17.0 mm -36.78 -29.24 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.266 -0.896 . . . . 0.0 109.519 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.574 ' N ' ' O ' ' A' ' 24' ' ' ILE . 8.5 mm-40 -76.54 -52.71 9.24 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.179 -0.951 . . . . 0.0 109.511 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.67 -49.44 62.35 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.28 -0.888 . . . . 0.0 109.686 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 29' ' ' LEU . 15.2 mt -60.32 -63.17 1.39 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.268 -0.895 . . . . 0.0 109.709 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 28' ' ' LEU . 1.0 OUTLIER -45.23 -55.14 6.13 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.14 -0.975 . . . . 0.0 109.474 -179.784 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -53.09 -31.41 41.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.243 -0.911 . . . . 0.0 109.592 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.28 -23.84 65.72 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.214 -0.929 . . . . 0.0 109.424 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.33 32.67 8.61 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -74.71 126.76 31.56 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.267 -1.137 . . . . 0.0 109.663 -179.844 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.623 ' HB3' ' HB2' ' A' ' 37' ' ' ALA . 0.3 OUTLIER -40.78 102.96 0.28 Allowed Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.262 -0.899 . . . . 0.0 109.673 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -56.19 -9.88 3.9 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.598 2.198 . . . . 0.0 112.475 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -119.34 15.35 13.02 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.043 -1.036 . . . . 0.0 109.97 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.623 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . . . -85.26 4.3 35.47 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.131 -0.981 . . . . 0.0 109.206 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 64.19 143.09 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.369 -0.832 . . . . 0.0 109.475 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -127.62 160.2 32.35 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.263 -0.898 . . . . 0.0 109.428 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -109.81 127.01 54.38 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.208 -0.932 . . . . 0.0 109.551 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mm -101.61 132.13 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.249 -0.907 . . . . 0.0 109.188 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -115.95 124.21 49.99 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.305 -0.872 . . . . 0.0 109.379 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.495 ' CD2' ' N ' ' A' ' 43' ' ' HIS . 6.4 m-70 -114.88 139.15 50.01 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.172 -0.955 . . . . 0.0 109.532 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.533 ' ND1' ' O ' ' A' ' 117' ' ' GLY . 14.8 m80 -103.1 120.07 40.01 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.316 -0.865 . . . . 0.0 109.564 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.453 ' HB2' ' CE2' ' A' ' 84' ' ' PHE . 4.1 mp -127.45 136.05 51.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.266 -0.896 . . . . 0.0 109.031 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.629 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -126.42 167.97 14.84 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.148 -0.97 . . . . 0.0 109.989 -179.571 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.561 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -152.11 177.28 10.67 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.433 -0.792 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -113.82 -28.84 7.28 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.166 -0.959 . . . . 0.0 109.657 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 51' ' ' ASP . 2.6 t70 -117.98 111.18 18.61 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.203 -0.936 . . . . 0.0 109.764 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -47.5 -20.51 0.24 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.291 -0.881 . . . . 0.0 109.188 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 49' ' ' ASP . 15.7 t70 -65.7 -69.91 0.27 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.327 -0.858 . . . . 0.0 109.377 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.08 -26.5 64.69 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.163 -0.96 . . . . 0.0 109.251 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.664 ' C ' HD23 ' A' ' 53' ' ' LEU . 5.2 tt -64.98 -59.81 3.75 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.327 -0.858 . . . . 0.0 109.452 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -50.31 -38.52 42.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.344 -0.847 . . . . 0.0 109.416 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -58.62 -50.31 74.32 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.366 -0.834 . . . . 0.0 109.672 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 57' ' ' ALA . . . -67.08 -64.13 0.92 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.191 -0.943 . . . . 0.0 109.529 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 56' ' ' ALA . . . -41.21 -47.47 3.33 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.301 -0.875 . . . . 0.0 109.674 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.5 t -54.47 -50.32 58.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.203 -0.936 . . . . 0.0 109.626 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.81 -39.0 83.54 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.227 -0.921 . . . . 0.0 109.658 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.43 -58.72 7.37 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.233 -0.917 . . . . 0.0 109.281 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -48.4 -47.26 37.85 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.285 -0.885 . . . . 0.0 109.269 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.473 ' NZ ' ' HB3' ' A' ' 62' ' ' LYS . 1.4 mtpm? -49.27 -60.05 3.15 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.319 -0.863 . . . . 0.0 109.373 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 20.6 mtm -47.41 -60.03 2.8 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.304 -0.873 . . . . 0.0 109.366 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 158.19 32.66 0.02 OUTLIER Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.505 ' CE2' HD21 ' A' ' 104' ' ' LEU . 58.2 m-85 -102.26 148.84 24.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.249 -1.148 . . . . 0.0 109.378 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -98.97 82.06 2.7 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.235 -0.916 . . . . 0.0 109.311 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.5 p -60.2 124.27 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.2 -0.937 . . . . 0.0 109.601 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.649 HD23 ' H ' ' A' ' 69' ' ' GLU . 0.6 OUTLIER -102.95 143.98 31.84 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.291 -0.88 . . . . 0.0 109.188 179.762 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.649 ' H ' HD23 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -40.01 164.03 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.233 -0.917 . . . . 0.0 109.354 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.408 ' HB1' ' N ' ' A' ' 83' ' ' CYS . . . -112.08 175.8 5.28 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.242 -0.911 . . . . 0.0 109.53 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.464 ' OE1' ' C ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -135.27 153.52 51.87 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.29 -0.881 . . . . 0.0 109.398 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.464 ' C ' ' OE1' ' A' ' 71' ' ' GLU . 1.3 mm-40 -75.87 104.59 6.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.312 -0.868 . . . . 0.0 109.366 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.267 -0.896 . . . . 0.0 109.471 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.0 tptt . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.224 0.535 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.448 HD12 ' C ' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -119.06 -167.34 1.37 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.16 -0.962 . . . . 0.0 109.293 179.637 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 mp -120.14 141.6 49.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.079 -1.013 . . . . 0.0 109.748 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.461 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER -130.5 101.94 5.94 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.325 -0.859 . . . . 0.0 109.222 179.704 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.484 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 5.6 p90 -91.71 149.92 21.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.128 -0.982 . . . . 0.0 109.466 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.544 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -103.73 156.16 18.02 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.328 -0.857 . . . . 0.0 109.556 -179.822 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -131.53 131.34 43.32 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.264 -0.897 . . . . 0.0 109.369 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.59 143.43 45.62 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.227 -0.921 . . . . 0.0 109.517 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.89 118.42 6.52 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.319 -0.863 . . . . 0.0 109.582 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -71.04 119.62 15.42 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.244 -0.91 . . . . 0.0 109.088 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.46 140.52 31.94 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.061 -1.024 . . . . 0.0 109.818 -179.569 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.88 142.8 52.89 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.262 -0.899 . . . . 0.0 109.268 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.493 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 1.0 OUTLIER -58.59 109.87 0.88 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.277 -0.889 . . . . 0.0 109.57 -179.85 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.493 ' OD1' ' O ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -170.05 130.36 0.97 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.334 -0.854 . . . . 0.0 109.368 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.65 -50.1 72.55 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.172 -0.955 . . . . 0.0 109.725 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -52.55 -29.32 24.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.233 -0.917 . . . . 0.0 109.608 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 96' ' ' LEU . 0.2 OUTLIER -74.52 -50.62 17.4 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.199 -0.938 . . . . 0.0 109.54 -179.847 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 51.5 mt -64.54 -28.87 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.355 -0.841 . . . . 0.0 109.682 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.69 -50.35 58.08 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.245 -0.909 . . . . 0.0 109.635 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.66 -48.12 82.16 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.214 -0.929 . . . . 0.0 109.62 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.658 ' N ' ' OE1' ' A' ' 100' ' ' GLN . 0.9 OUTLIER -64.38 -41.98 96.41 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.172 -0.955 . . . . 0.0 109.629 -179.875 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 102' ' ' GLU . 2.3 t -58.6 -61.59 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.194 -0.941 . . . . 0.0 109.641 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.492 ' N ' HG12 ' A' ' 101' ' ' VAL . 9.3 mt-10 -45.9 -45.12 15.13 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.247 -0.908 . . . . 0.0 109.755 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -56.0 -55.98 26.24 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.235 -0.916 . . . . 0.0 109.927 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.505 HD21 ' CE2' ' A' ' 65' ' ' PHE . 70.3 mt -61.7 -34.13 75.24 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.292 -0.88 . . . . 0.0 109.964 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.7 t -66.51 -45.22 89.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.177 -0.952 . . . . 0.0 109.725 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -63.36 -56.11 19.01 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.179 -0.951 . . . . 0.0 109.789 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.4 tp -58.46 -47.62 83.44 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.202 -0.936 . . . . 0.0 109.725 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.38 -45.18 35.47 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.205 -0.934 . . . . 0.0 109.576 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.87 -25.43 48.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.168 -0.957 . . . . 0.0 109.569 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -62.91 -31.95 73.12 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.175 -0.953 . . . . 0.0 109.646 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.491 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 4.4 m-85 -99.19 -77.19 0.52 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.149 -0.97 . . . . 0.0 109.594 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.7 OUTLIER 166.48 36.26 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.174 -0.954 . . . . 0.0 109.734 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.428 HG22 ' HB2' ' A' ' 47' ' ' ALA . 24.1 pt -118.3 137.24 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.119 -0.988 . . . . 0.0 109.335 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.544 HD12 ' N ' ' A' ' 115' ' ' TYR . 0.2 OUTLIER -86.45 113.7 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.222 -0.923 . . . . 0.0 109.651 -179.837 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.544 ' N ' HD12 ' A' ' 114' ' ' ILE . 1.0 OUTLIER -99.95 102.65 14.09 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.321 -0.862 . . . . 0.0 109.333 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -152.21 88.26 1.37 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.263 -0.898 . . . . 0.0 109.538 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.533 ' O ' ' ND1' ' A' ' 44' ' ' HIS . . . 162.91 73.86 0.02 OUTLIER Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.525 ' O ' ' CG ' ' A' ' 118' ' ' TRP . 5.9 p-90 -108.69 129.16 55.35 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.188 -1.183 . . . . 0.0 109.532 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -143.71 143.14 11.92 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.8 t -100.18 177.9 4.94 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.216 -1.167 . . . . 0.0 109.621 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 N--CA 1.488 1.468 0 O-C-N 121.331 -0.856 . . . . 0.0 109.291 179.929 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -74.71 -48.19 27.29 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.335 -0.853 . . . . 0.0 109.361 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.465 ' N ' HD23 ' A' ' 13' ' ' LEU . 8.0 mt -61.28 -45.99 92.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.328 -0.857 . . . . 0.0 109.482 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.0 mt -62.05 -54.56 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.155 -0.966 . . . . 0.0 109.52 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -52.17 -55.1 23.19 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.171 -0.956 . . . . 0.0 109.556 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.7 mt -47.52 -37.18 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.265 -0.897 . . . . 0.0 109.751 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.503 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.9 OUTLIER -73.53 -35.8 65.61 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.205 -0.934 . . . . 0.0 109.591 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -59.7 -44.25 93.76 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.253 -0.904 . . . . 0.0 109.606 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -68.44 -55.43 11.9 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.282 -0.886 . . . . 0.0 109.693 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -56.06 -27.83 55.08 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.263 -0.898 . . . . 0.0 109.723 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.503 ' OG1' ' O ' ' A' ' 17' ' ' GLN . 68.8 m -67.91 -53.0 29.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.12 -0.988 . . . . 0.0 109.709 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -58.35 -27.32 64.07 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.222 -0.924 . . . . 0.0 109.482 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.37 -52.19 12.88 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.159 -0.963 . . . . 0.0 109.478 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 84.8 mt -61.86 -55.05 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.246 -0.909 . . . . 0.0 109.437 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.2 mp -54.65 -32.81 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.142 -0.974 . . . . 0.0 109.227 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.412 ' O ' ' OE1' ' A' ' 26' ' ' GLN . 1.3 tp-100 -68.71 -57.52 5.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.202 -0.936 . . . . 0.0 109.625 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.08 -51.9 60.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.217 -0.927 . . . . 0.0 109.782 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.99 -48.28 80.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.219 -0.926 . . . . 0.0 109.609 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.485 ' HA ' HD23 ' A' ' 29' ' ' LEU . 12.3 mt -53.55 -45.27 69.79 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.292 -0.88 . . . . 0.0 109.383 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -68.35 -30.84 69.88 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.253 -0.904 . . . . 0.0 109.476 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -61.25 -36.34 79.73 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.198 -0.939 . . . . 0.0 109.482 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.561 ' O ' ' O ' ' A' ' 33' ' ' SER . . . 123.64 15.8 3.54 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.929 -1.268 . . . . 0.0 109.929 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.561 ' O ' ' O ' ' A' ' 32' ' ' GLY . 1.3 t -48.32 -175.89 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.13 -1.217 . . . . 0.0 109.303 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -142.14 88.88 8.94 Favored Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.156 -0.965 . . . . 0.0 109.504 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -54.32 -17.72 12.74 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.914 2.409 . . . . 0.0 112.291 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.9 12.72 14.49 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.244 -0.91 . . . . 0.0 109.635 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.518 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -120.34 26.88 8.93 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.177 -0.952 . . . . 0.0 109.475 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.518 ' O ' ' O ' ' A' ' 37' ' ' ALA . 27.4 mt 55.45 160.7 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.23 -0.919 . . . . 0.0 109.36 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.67 171.69 13.72 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.271 -0.893 . . . . 0.0 109.428 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.81 ' C ' HD12 ' A' ' 41' ' ' ILE . 3.5 tt0 -122.56 128.98 51.43 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.228 -0.92 . . . . 0.0 109.623 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.81 HD12 ' C ' ' A' ' 40' ' ' GLU . 2.5 mp -122.39 129.32 75.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.322 -0.861 . . . . 0.0 109.23 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -116.02 146.01 42.51 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.22 -0.925 . . . . 0.0 109.488 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.581 ' CD2' ' N ' ' A' ' 43' ' ' HIS . 1.1 m-70 -121.91 154.04 37.65 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.343 -0.848 . . . . 0.0 109.538 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.682 ' C ' HD12 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -120.74 135.62 55.09 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.283 -0.886 . . . . 0.0 109.318 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.792 ' N ' HD12 ' A' ' 45' ' ' LEU . 1.4 mp -144.77 146.34 32.1 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.218 -0.927 . . . . 0.0 109.636 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.647 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -125.38 160.84 28.39 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.313 -0.867 . . . . 0.0 109.753 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.421 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -141.6 -179.46 6.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.376 -0.827 . . . . 0.0 109.545 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.76 -45.65 3.79 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.178 -0.951 . . . . 0.0 110.119 -179.493 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -100.84 143.91 30.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.076 -1.015 . . . . 0.0 109.976 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.499 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -64.61 -30.51 71.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.254 -0.904 . . . . 0.0 109.088 179.721 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.487 ' O ' ' C ' ' A' ' 52' ' ' LYS . 16.9 m-20 -70.62 -72.04 0.22 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.243 -0.911 . . . . 0.0 109.247 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.487 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -39.91 -35.44 0.36 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.251 -0.906 . . . . 0.0 109.074 179.788 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.532 ' C ' HD23 ' A' ' 53' ' ' LEU . 5.0 tt -66.53 -53.75 31.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.403 -0.81 . . . . 0.0 109.418 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.776 ' O ' HG23 ' A' ' 58' ' ' VAL . 15.7 tt0 -55.9 -25.23 41.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.304 -0.872 . . . . 0.0 109.538 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt -76.83 -65.6 0.92 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.178 -0.951 . . . . 0.0 109.352 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.92 -41.35 33.45 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.178 -0.951 . . . . 0.0 109.046 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.557 ' HB1' HG21 ' A' ' 67' ' ' VAL . . . -64.93 -49.02 72.02 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.284 -0.885 . . . . 0.0 109.198 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 54' ' ' GLU . 17.3 t -50.74 -53.75 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.302 -0.874 . . . . 0.0 109.203 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -51.41 -41.99 61.15 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.222 -0.924 . . . . 0.0 109.3 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.69 -58.08 8.92 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.355 -0.841 . . . . 0.0 109.306 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 61' ' ' PHE . 15.3 t80 -47.75 -60.1 2.81 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.264 -0.897 . . . . 0.0 109.44 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -48.36 -42.36 31.36 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.297 -0.877 . . . . 0.0 109.626 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 28.7 mtm -66.09 -24.96 66.8 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.187 -0.946 . . . . 0.0 109.536 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.58 52.29 0.48 Allowed Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.618 ' CZ ' ' CE ' ' A' ' 88' ' ' MET . 23.9 m-85 -132.58 118.44 19.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.251 -1.147 . . . . 0.0 109.256 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.47 88.15 0.06 Allowed 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.153 -0.967 . . . . 0.0 109.266 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.557 HG21 ' HB1' ' A' ' 57' ' ' ALA . 9.3 p -70.19 145.65 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.348 -0.845 . . . . 0.0 109.731 -179.63 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.534 HD22 ' O ' ' A' ' 67' ' ' VAL . 0.7 OUTLIER -125.28 138.97 54.09 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.213 -0.929 . . . . 0.0 109.3 179.829 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -46.02 164.6 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.187 -0.945 . . . . 0.0 109.648 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.449 ' HB1' ' N ' ' A' ' 83' ' ' CYS . . . -107.88 180.0 4.06 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.204 -0.935 . . . . 0.0 109.491 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 72' ' ' GLU . 0.4 OUTLIER -148.31 118.81 7.41 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.274 -0.891 . . . . 0.0 109.393 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -41.63 117.15 0.88 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.176 -0.952 . . . . 0.0 109.406 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.35 -0.844 . . . . 0.0 109.301 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.56 168.71 15.99 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.262 -0.899 . . . . 0.0 109.519 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.829 ' N ' HD12 ' A' ' 82' ' ' LEU . 4.1 mp -98.3 131.51 44.56 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.175 -0.953 . . . . 0.0 109.573 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.449 ' N ' ' HB1' ' A' ' 70' ' ' ALA . 1.7 p -124.35 113.84 18.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.402 -0.811 . . . . 0.0 109.505 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.526 ' CD1' HD21 ' A' ' 53' ' ' LEU . 5.3 p90 -100.44 162.01 13.22 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.2 -0.937 . . . . 0.0 109.219 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.531 ' OD1' ' NE2' ' A' ' 44' ' ' HIS . 0.4 OUTLIER -122.6 165.58 16.23 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.153 -0.967 . . . . 0.0 109.956 -179.575 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -139.66 160.75 39.15 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.387 -0.821 . . . . 0.0 109.037 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.02 150.01 45.31 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.029 -1.044 . . . . 0.0 110.105 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.618 ' CE ' ' CZ ' ' A' ' 65' ' ' PHE . 7.4 ttm -156.66 128.69 7.34 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.432 -0.793 . . . . 0.0 109.024 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -96.56 142.68 28.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.192 -0.943 . . . . 0.0 109.846 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.4 p -173.08 -176.91 1.47 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.37 -0.831 . . . . 0.0 109.306 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 93' ' ' ASP . . . -81.46 110.65 17.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.215 -0.928 . . . . 0.0 109.643 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 91' ' ' ALA . 14.1 tp -42.28 96.35 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.273 -0.892 . . . . 0.0 109.406 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.6 OUTLIER -144.1 138.34 28.17 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.252 -0.905 . . . . 0.0 109.586 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.55 -45.31 92.19 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.241 -0.912 . . . . 0.0 109.696 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -53.94 -51.38 64.01 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.154 -0.966 . . . . 0.0 109.53 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 97' ' ' ILE . 4.0 mp -60.49 -65.08 0.74 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.181 -0.949 . . . . 0.0 109.358 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 96' ' ' LEU . 25.7 mt -42.69 -38.88 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.272 -0.892 . . . . 0.0 109.608 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.62 -53.83 48.65 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.223 -0.923 . . . . 0.0 109.768 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -63.13 -46.6 86.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.25 -0.906 . . . . 0.0 109.886 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -56.73 -53.12 61.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.194 -0.941 . . . . 0.0 109.525 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.662 HG13 ' CZ ' ' A' ' 115' ' ' TYR . 44.2 t -61.35 -54.47 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.156 -0.965 . . . . 0.0 109.422 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 101' ' ' VAL . 21.7 mt-10 -42.08 -35.97 1.04 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.285 -0.884 . . . . 0.0 109.512 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -68.41 -62.83 1.22 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.285 -0.884 . . . . 0.0 109.406 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.416 ' H ' ' HG ' ' A' ' 104' ' ' LEU . 35.4 mt -53.03 -20.77 3.78 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.355 -0.841 . . . . 0.0 109.451 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 22.0 t -74.46 -66.03 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.248 -0.907 . . . . 0.0 109.372 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -50.88 -51.08 55.12 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.271 -0.893 . . . . 0.0 109.464 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.437 HD23 ' N ' ' A' ' 108' ' ' ALA . 1.5 tt -54.54 -46.16 73.54 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.324 -0.86 . . . . 0.0 109.759 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.537 ' HB1' HG13 ' A' ' 113' ' ' ILE . . . -53.15 -63.29 1.2 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.205 -0.934 . . . . 0.0 109.644 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.587 ' N ' ' OE1' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -55.1 -41.39 71.56 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.205 -0.934 . . . . 0.0 109.806 -179.774 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -54.94 -29.71 57.07 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.255 -0.903 . . . . 0.0 109.665 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.548 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 7.5 m-85 -95.14 -76.07 0.5 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.215 -0.928 . . . . 0.0 109.51 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.9 OUTLIER 160.91 34.6 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.425 -0.797 . . . . 0.0 109.031 -179.833 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.537 HG13 ' HB1' ' A' ' 108' ' ' ALA . 13.2 pt -119.17 166.01 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.345 -0.847 . . . . 0.0 109.567 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.663 HD12 ' N ' ' A' ' 115' ' ' TYR . 0.1 OUTLIER -114.37 113.25 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.304 -0.873 . . . . 0.0 109.353 179.825 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.663 ' N ' HD12 ' A' ' 114' ' ' ILE . 1.1 t80 -93.12 114.38 26.89 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.299 -0.876 . . . . 0.0 109.394 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.483 ' O ' ' OD1' ' A' ' 116' ' ' ASP . 5.5 t0 -162.74 84.36 0.53 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.272 -0.893 . . . . 0.0 109.4 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 163.08 83.33 0.05 OUTLIER Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -119.63 157.76 27.79 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.245 -1.15 . . . . 0.0 109.42 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 175.26 157.14 15.86 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.649 -1.38 . . . . 0.0 109.649 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.4 t -120.47 167.41 12.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.284 -1.127 . . . . 0.0 109.342 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.234 -0.916 . . . . 0.0 109.45 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 12' ' ' GLU . 12.0 tp10 . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.486 ' CD ' ' C ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -40.62 -31.93 0.18 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.175 -0.953 . . . . 0.0 108.983 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.435 ' N ' ' HG3' ' A' ' 12' ' ' GLU . 0.8 OUTLIER -68.67 -59.73 2.91 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.296 -0.878 . . . . 0.0 108.934 179.546 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 14.1 mt -53.79 -35.3 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.292 -0.88 . . . . 0.0 109.225 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.25 -63.13 1.39 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.478 -0.763 . . . . 0.0 109.591 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 60.1 mt -54.11 -61.04 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.32 -0.862 . . . . 0.0 109.789 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -46.38 -48.54 18.58 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.146 -0.971 . . . . 0.0 109.673 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.446 ' HZ2' ' HB3' ' A' ' 18' ' ' LYS . 11.2 ttpp -59.59 -57.69 11.84 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.234 -0.916 . . . . 0.0 109.626 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -50.6 -63.91 0.98 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.271 -0.893 . . . . 0.0 109.583 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' THR . 41.5 tt0 -41.81 -67.4 0.26 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.281 -0.887 . . . . 0.0 109.592 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.53 ' O ' ' C ' ' A' ' 22' ' ' ARG . 84.8 m -41.69 -64.81 0.52 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.211 -0.931 . . . . 0.0 109.591 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.53 ' C ' ' O ' ' A' ' 21' ' ' THR . 6.2 mtm180 -35.06 -35.37 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.206 -0.934 . . . . 0.0 109.551 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -74.48 -44.62 50.68 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.23 -0.919 . . . . 0.0 109.438 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' A' ' 21' ' ' THR . 62.8 mt -60.38 -54.13 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.22 -0.925 . . . . 0.0 109.373 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.424 ' H ' HG12 ' A' ' 25' ' ' ILE . 17.2 mm -52.28 -56.69 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.317 -0.864 . . . . 0.0 109.579 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -51.77 -29.02 17.19 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.258 -0.901 . . . . 0.0 109.465 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 24' ' ' ILE . . . -71.57 -65.4 0.76 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.239 -0.913 . . . . 0.0 109.447 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.9 mt -52.7 -39.77 62.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.285 -0.885 . . . . 0.0 109.589 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.49 ' HA ' HD22 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -64.61 -56.74 11.95 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.233 -0.917 . . . . 0.0 109.417 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -52.43 -26.2 12.05 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.265 -0.897 . . . . 0.0 109.498 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.46 -37.48 74.29 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.246 -0.909 . . . . 0.0 109.636 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 123.83 18.18 2.97 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.551 -1.419 . . . . 0.0 109.551 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.2 p -46.98 168.93 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.25 -1.147 . . . . 0.0 109.644 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -119.49 92.31 45.79 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.341 -0.85 . . . . 0.0 109.35 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -53.62 -27.53 42.1 Favored 'Trans proline' 0 C--N 1.307 -1.613 0 C-N-CA 122.87 2.38 . . . . 0.0 112.511 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -79.05 10.55 3.38 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.173 -0.954 . . . . 0.0 109.741 -179.722 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.455 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -104.98 12.36 32.43 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.183 -0.948 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' A' ' 37' ' ' ALA . 9.2 tp 60.29 146.66 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.257 -0.902 . . . . 0.0 109.596 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.411 ' CD2' HD13 ' A' ' 92' ' ' LEU . 1.9 m-85 -130.75 153.92 48.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.399 -0.813 . . . . 0.0 109.476 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.477 ' C ' HD13 ' A' ' 41' ' ' ILE . 2.4 pt-20 -115.93 119.41 35.84 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.261 -0.9 . . . . 0.0 109.538 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.544 HD13 ' N ' ' A' ' 41' ' ' ILE . 3.4 mm -97.36 156.66 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.216 -0.927 . . . . 0.0 109.443 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -138.69 125.49 20.98 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.179 -0.95 . . . . 0.0 109.507 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -111.3 134.81 52.62 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.325 -0.859 . . . . 0.0 109.486 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -98.72 123.77 43.14 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.216 -0.927 . . . . 0.0 109.182 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 3.0 mp -132.75 135.84 45.98 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.105 -0.997 . . . . 0.0 109.713 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.723 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -123.41 154.43 39.04 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.233 -0.917 . . . . 0.0 109.502 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -131.68 -179.95 5.69 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.394 -0.816 . . . . 0.0 109.463 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -107.42 -33.61 7.31 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.323 -0.861 . . . . 0.0 109.552 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.43 139.08 49.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.223 -0.923 . . . . 0.0 109.482 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -62.29 -33.24 74.27 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.234 -0.916 . . . . 0.0 109.317 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -61.34 -68.79 0.28 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.24 -0.913 . . . . 0.0 109.444 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 55' ' ' LYS . 1.1 tpmt? -45.99 -46.34 16.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.198 -0.939 . . . . 0.0 109.262 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.468 ' C ' HD23 ' A' ' 53' ' ' LEU . 5.9 tt -44.55 -47.38 10.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.297 -0.877 . . . . 0.0 109.233 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 58' ' ' VAL . 7.5 tt0 -67.9 -26.64 66.09 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.273 -0.892 . . . . 0.0 109.315 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' LYS . 18.4 mmmt -72.08 -52.66 15.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.239 -0.913 . . . . 0.0 109.589 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.84 -37.78 79.39 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.227 -0.921 . . . . 0.0 109.682 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.41 ' HB1' HG21 ' A' ' 67' ' ' VAL . . . -67.45 -41.7 84.28 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.2 -0.937 . . . . 0.0 109.573 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 54' ' ' GLU . 2.9 t -58.06 -60.23 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.168 -0.957 . . . . 0.0 109.53 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.0 -36.66 40.55 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.273 -0.892 . . . . 0.0 109.557 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.88 -55.1 25.23 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.257 -0.902 . . . . 0.0 109.534 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -51.28 -49.14 61.8 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.257 -0.902 . . . . 0.0 109.565 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 63' ' ' MET . 1.3 ttpt -52.16 -55.49 20.68 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.223 -0.923 . . . . 0.0 109.51 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 62' ' ' LYS . 1.3 mtt -42.87 -41.02 3.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.234 -0.916 . . . . 0.0 109.518 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.14 19.89 0.46 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.56 ' CZ ' ' SD ' ' A' ' 88' ' ' MET . 12.5 m-85 -98.63 161.84 13.45 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.259 -1.142 . . . . 0.0 109.577 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -112.82 90.49 3.36 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.294 -0.879 . . . . 0.0 109.1 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.41 HG21 ' HB1' ' A' ' 57' ' ' ALA . 7.8 p -62.81 150.8 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.305 -0.872 . . . . 0.0 110.105 -179.405 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.635 ' N ' ' O ' ' A' ' 85' ' ' ASP . 10.4 tp -127.29 139.46 52.88 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.432 -0.792 . . . . 0.0 108.945 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 68' ' ' LEU . 7.6 mt-10 -42.16 154.67 0.05 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.161 -0.962 . . . . 0.0 109.88 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.422 ' HB1' ' N ' ' A' ' 83' ' ' CYS . . . -104.99 168.06 9.3 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.336 -0.853 . . . . 0.0 109.588 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.513 ' O ' ' C ' ' A' ' 72' ' ' GLU . 4.2 tt0 -133.29 108.57 8.82 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.27 -0.893 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.513 ' C ' ' O ' ' A' ' 71' ' ' GLU . 34.2 tt0 -37.68 113.99 0.31 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.22 -0.925 . . . . 0.0 109.481 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.227 -0.92 . . . . 0.0 109.38 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.324 0.583 . . . . 0.0 109.689 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.41 HD12 ' C ' ' A' ' 81' ' ' LEU . 3.3 pp -153.36 160.46 42.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.278 -0.889 . . . . 0.0 109.29 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 mp -104.09 139.88 38.55 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.208 -0.933 . . . . 0.0 109.684 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.422 ' N ' ' HB1' ' A' ' 70' ' ' ALA . 2.5 t -125.98 103.3 7.67 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.383 -0.823 . . . . 0.0 109.329 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 4.0 p90 -91.95 155.74 17.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.158 -0.964 . . . . 0.0 109.025 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.635 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -114.93 147.42 40.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.168 -0.957 . . . . 0.0 110.141 -179.187 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -131.96 134.76 45.98 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.444 -0.785 . . . . 0.0 108.986 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.444 HG22 ' O ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -113.62 164.44 13.67 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.183 -0.948 . . . . 0.0 109.738 -179.732 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.56 ' SD ' ' CZ ' ' A' ' 65' ' ' PHE . 9.9 ttt -160.66 111.85 1.86 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.313 -0.867 . . . . 0.0 109.513 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.52 ' CD ' ' N ' ' A' ' 89' ' ' GLN . 2.0 mp0 -70.34 138.54 51.53 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.253 -0.904 . . . . 0.0 109.504 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.39 -162.23 1.46 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.261 -0.899 . . . . 0.0 109.455 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.565 ' O ' ' C ' ' A' ' 92' ' ' LEU . . . -117.34 47.85 1.44 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.232 -0.918 . . . . 0.0 109.675 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.565 ' C ' ' O ' ' A' ' 91' ' ' ALA . 2.5 tp 32.14 95.92 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.54 -0.725 . . . . 0.0 109.726 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.78 123.65 6.22 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.207 -0.933 . . . . 0.0 109.634 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.26 -37.93 67.89 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.313 -0.867 . . . . 0.0 109.45 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 41.2 mttp -63.2 -45.37 92.02 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.308 -0.87 . . . . 0.0 109.414 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 97' ' ' ILE . 4.5 tp -67.46 -64.2 0.9 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.287 -0.883 . . . . 0.0 109.313 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 96' ' ' LEU . 25.0 mt -42.35 -34.46 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.355 -0.841 . . . . 0.0 109.466 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.98 -48.8 67.37 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.261 -0.899 . . . . 0.0 109.539 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.418 ' C ' ' HZ3' ' A' ' 103' ' ' LYS . 7.5 mt-10 -61.96 -36.69 82.17 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.255 -0.903 . . . . 0.0 109.523 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -69.56 -50.64 42.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.228 -0.92 . . . . 0.0 109.65 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 22.7 t -61.69 -42.62 95.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.305 -0.872 . . . . 0.0 109.766 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -61.35 -39.53 90.94 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.308 -0.87 . . . . 0.0 109.745 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.418 ' HZ3' ' C ' ' A' ' 99' ' ' GLU . 29.3 mtmm -72.1 -36.58 69.5 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.106 -0.996 . . . . 0.0 109.628 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.41 -34.45 72.53 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.191 -0.943 . . . . 0.0 109.444 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.52 HG12 ' N ' ' A' ' 106' ' ' ASN . 2.7 t -67.07 -66.22 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.291 -0.881 . . . . 0.0 109.625 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.52 ' N ' HG12 ' A' ' 105' ' ' VAL . 7.1 m-80 -47.07 -42.47 18.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.211 -0.931 . . . . 0.0 109.796 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 108' ' ' ALA . 3.4 tt -64.48 -53.1 53.53 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.246 -0.909 . . . . 0.0 109.87 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.556 ' HB1' HG13 ' A' ' 113' ' ' ILE . . . -44.3 -57.04 3.72 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.226 -0.921 . . . . 0.0 109.757 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -60.0 -42.26 93.87 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.189 -0.945 . . . . 0.0 109.836 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -50.68 -32.97 20.82 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.141 -0.975 . . . . 0.0 109.566 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.546 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 10.6 m-85 -92.21 -74.97 0.5 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.255 -0.903 . . . . 0.0 109.591 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 1.4 m-20 160.64 35.76 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.284 -0.885 . . . . 0.0 109.424 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.556 HG13 ' HB1' ' A' ' 108' ' ' ALA . 5.3 pt -120.22 177.2 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.283 -0.885 . . . . 0.0 109.564 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.44 HG23 ' CD2' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -125.61 104.81 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.352 -0.843 . . . . 0.0 109.117 179.727 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.566 ' C ' ' CD1' ' A' ' 115' ' ' TYR . 0.8 OUTLIER -94.52 119.59 33.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.226 -0.921 . . . . 0.0 109.518 -179.681 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.481 ' N ' ' CD1' ' A' ' 115' ' ' TYR . 5.7 t70 -163.67 74.46 0.33 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.224 -0.922 . . . . 0.0 109.613 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 168.47 96.12 0.1 Allowed Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.708 -1.357 . . . . 0.0 109.708 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.405 ' CH2' HG23 ' A' ' 21' ' ' THR . 4.4 p-90 -122.96 138.55 54.65 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.187 -1.184 . . . . 0.0 109.644 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -133.56 159.25 23.59 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.0 t -127.65 150.7 49.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.143 -1.21 . . . . 0.0 109.633 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.278 -0.889 . . . . 0.0 109.277 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.406 ' H ' ' HG2' ' A' ' 12' ' ' GLU . 40.3 mm-40 -61.51 -53.7 52.93 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.211 -0.931 . . . . 0.0 109.331 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.0 mt -52.9 -50.38 64.03 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.33 -0.856 . . . . 0.0 109.232 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 78.6 mt -59.6 -30.41 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.335 -0.853 . . . . 0.0 109.557 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.7 -66.52 0.53 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.267 -0.895 . . . . 0.0 109.527 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.5 mt -52.05 -41.46 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.266 -0.896 . . . . 0.0 109.66 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.477 ' O ' ' C ' ' A' ' 18' ' ' LYS . 2.7 tp-100 -60.15 -60.43 3.83 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.183 -0.948 . . . . 0.0 109.669 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 17' ' ' GLN . 2.9 ttmt -40.49 -50.47 2.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.231 -0.918 . . . . 0.0 109.49 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.21 -50.44 70.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.265 -0.897 . . . . 0.0 109.618 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 21' ' ' THR . 30.5 tt0 -49.39 -62.79 1.35 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.225 -0.922 . . . . 0.0 109.343 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 20' ' ' GLU . 25.3 m -42.6 -53.77 4.27 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.173 -0.954 . . . . 0.0 109.315 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 21' ' ' THR . 24.4 ttp180 -43.53 -45.17 6.43 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.186 -0.946 . . . . 0.0 109.33 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -63.24 -39.02 93.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.275 -0.891 . . . . 0.0 109.473 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.472 ' O ' ' C ' ' A' ' 25' ' ' ILE . 39.0 mt -69.95 -64.31 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.216 -0.928 . . . . 0.0 109.401 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.472 ' C ' ' O ' ' A' ' 24' ' ' ILE . 19.1 mm -40.58 -44.31 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.259 -0.901 . . . . 0.0 109.192 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -56.04 -58.96 5.71 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.407 -0.808 . . . . 0.0 109.399 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 28' ' ' LEU . . . -46.28 -66.32 0.42 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.238 -0.914 . . . . 0.0 109.545 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.68 ' O ' ' N ' ' A' ' 32' ' ' GLY . 13.4 mt -43.02 -65.67 0.46 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.149 -0.969 . . . . 0.0 109.36 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.543 ' C ' ' O ' ' A' ' 28' ' ' LEU . 1.3 mm? -35.43 -52.33 0.63 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.239 -0.913 . . . . 0.0 109.393 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -61.29 -35.97 78.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.303 -0.873 . . . . 0.0 109.287 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.611 ' N ' ' O ' ' A' ' 28' ' ' LEU . 7.9 m-20 -140.05 56.92 1.62 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.28 -0.888 . . . . 0.0 109.498 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.68 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . 167.2 30.74 0.02 OUTLIER Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.716 -1.353 . . . . 0.0 109.716 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.6 t -62.4 -115.49 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.22 -1.165 . . . . 0.0 109.527 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.524 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 0.6 OUTLIER 45.96 50.67 8.39 Favored Pre-proline 0 N--CA 1.49 1.525 0 O-C-N 121.19 -0.944 . . . . 0.0 109.507 -179.878 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 34' ' ' ASP . 35.6 Cg_endo -68.14 -8.02 21.6 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.794 2.329 . . . . 0.0 111.881 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -82.31 3.93 25.79 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.26 -0.9 . . . . 0.0 109.314 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.44 -107.98 0.14 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.301 -0.874 . . . . 0.0 109.354 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -167.89 144.54 4.12 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.273 -0.892 . . . . 0.0 109.354 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.577 ' CE2' HD13 ' A' ' 92' ' ' LEU . 2.3 m-85 -127.02 126.38 43.02 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.307 -0.871 . . . . 0.0 109.446 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.472 ' C ' HD12 ' A' ' 41' ' ' ILE . 2.1 pt-20 -98.73 120.61 39.46 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.129 -0.982 . . . . 0.0 109.334 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.627 HD12 ' N ' ' A' ' 41' ' ' ILE . 1.5 mp -94.4 148.21 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.284 -0.885 . . . . 0.0 109.945 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -124.15 112.73 17.44 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.391 -0.818 . . . . 0.0 109.079 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.4 ' C ' ' CD2' ' A' ' 44' ' ' HIS . 99.3 m-70 -97.19 158.49 15.42 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.236 -0.915 . . . . 0.0 109.805 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.551 ' ND1' ' O ' ' A' ' 117' ' ' GLY . 3.2 m80 -133.03 105.83 7.3 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.384 -0.823 . . . . 0.0 109.463 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.66 ' H ' HD12 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -120.35 134.85 55.19 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.316 -0.865 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.625 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -117.1 155.63 28.98 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.217 -0.927 . . . . 0.0 109.8 -179.767 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -122.99 172.5 8.46 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.439 -0.788 . . . . 0.0 109.33 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -113.86 -12.13 12.75 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.232 -0.918 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -130.89 119.87 22.8 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.293 -0.879 . . . . 0.0 109.324 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.651 ' CE2' ' OD1' ' A' ' 51' ' ' ASP . 20.7 p90 -49.3 -26.61 3.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.241 -0.912 . . . . 0.0 109.471 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.651 ' OD1' ' CE2' ' A' ' 50' ' ' PHE . 67.6 m-20 -67.81 -71.31 0.21 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.303 -0.873 . . . . 0.0 109.525 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.42 ' HZ2' ' HB2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -53.82 -26.8 25.96 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.193 -0.942 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.789 ' C ' HD23 ' A' ' 53' ' ' LEU . 6.2 tt -59.48 -50.46 73.83 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.32 -0.862 . . . . 0.0 109.476 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -65.59 -32.12 73.53 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.215 -0.928 . . . . 0.0 109.713 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.03 -63.2 1.11 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.129 -0.982 . . . . 0.0 109.714 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.24 -34.93 70.99 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.197 -0.939 . . . . 0.0 109.885 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.99 -39.21 76.03 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.165 -0.959 . . . . 0.0 109.523 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.7 t -67.62 -49.02 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.251 -0.906 . . . . 0.0 109.589 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -54.67 44.47 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.239 -0.913 . . . . 0.0 109.529 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.56 -36.03 32.63 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.245 -0.909 . . . . 0.0 109.406 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -74.75 -32.88 62.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.29 -0.881 . . . . 0.0 109.307 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -62.33 -40.01 94.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.355 -0.841 . . . . 0.0 109.329 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.6 mtt -59.54 -51.38 70.08 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.205 -0.934 . . . . 0.0 109.342 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 150.12 34.84 0.04 OUTLIER Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -110.33 141.81 42.83 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.245 -1.15 . . . . 0.0 109.694 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.68 80.64 8.93 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.264 -0.897 . . . . 0.0 109.322 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.416 ' O ' HG13 ' A' ' 67' ' ' VAL . 5.5 p -61.74 127.46 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.14 -0.975 . . . . 0.0 109.616 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.647 ' N ' ' O ' ' A' ' 85' ' ' ASP . 5.1 tp -102.57 142.98 32.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.303 -0.873 . . . . 0.0 109.253 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 68' ' ' LEU . 2.9 mm-40 -43.65 163.79 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.223 -0.923 . . . . 0.0 109.567 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.5 ' HB1' ' N ' ' A' ' 83' ' ' CYS . . . -112.56 171.18 7.68 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.222 -0.924 . . . . 0.0 109.581 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -128.75 142.72 50.91 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.309 -0.869 . . . . 0.0 109.348 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -52.09 136.31 29.79 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.232 -0.917 . . . . 0.0 109.454 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.48 0 O-C-N 121.318 -0.864 . . . . 0.0 109.493 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.5 mttt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 mt -106.47 174.9 5.69 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.349 -0.844 . . . . 0.0 109.517 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 mp -128.4 136.39 50.83 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.326 -0.859 . . . . 0.0 109.242 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.5 ' N ' ' HB1' ' A' ' 70' ' ' ALA . 16.1 m -124.73 100.1 6.47 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.216 -0.928 . . . . 0.0 109.942 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.547 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 2.2 p90 -90.78 143.5 26.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.171 -0.956 . . . . 0.0 108.743 179.341 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.647 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -103.04 161.97 13.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.131 -0.98 . . . . 0.0 110.044 -179.363 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -137.06 138.03 39.97 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.377 -0.827 . . . . 0.0 109.063 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.25 137.0 53.33 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.204 -0.935 . . . . 0.0 109.654 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.1 tpt -139.6 121.11 15.12 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.288 -0.882 . . . . 0.0 109.454 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -81.61 120.63 25.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.263 -0.898 . . . . 0.0 109.412 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.59 178.45 8.28 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.299 -0.876 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -91.4 142.44 27.68 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.135 -0.978 . . . . 0.0 109.42 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.577 HD13 ' CE2' ' A' ' 39' ' ' TYR . 9.6 tp -55.3 103.16 0.08 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.326 -0.859 . . . . 0.0 109.629 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -156.2 126.05 6.42 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.179 -0.951 . . . . 0.0 109.562 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.36 -40.5 94.52 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.279 -0.888 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -62.31 -56.41 18.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.274 -0.891 . . . . 0.0 109.192 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.7 mp -51.71 -43.74 62.93 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.242 -0.911 . . . . 0.0 109.008 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.488 ' O ' HG23 ' A' ' 101' ' ' VAL . 36.8 mt -64.58 -28.94 45.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.334 -0.854 . . . . 0.0 109.239 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -68.12 -52.84 30.31 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.34 -0.85 . . . . 0.0 109.573 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -59.65 -48.61 80.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.172 -0.955 . . . . 0.0 109.342 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -51.82 -52.64 47.73 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.298 -0.876 . . . . 0.0 109.435 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 97' ' ' ILE . 90.2 t -62.18 -59.29 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.236 -0.915 . . . . 0.0 109.629 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 101' ' ' VAL . 27.5 tt0 -44.18 -32.24 1.19 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.33 -0.856 . . . . 0.0 109.771 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -69.53 -49.53 53.62 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.275 -0.891 . . . . 0.0 109.519 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.444 HD22 HD21 ' A' ' 45' ' ' LEU . 23.2 mt -67.99 -25.15 65.27 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.29 -0.881 . . . . 0.0 109.452 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 101' ' ' VAL . 59.7 t -71.52 -54.52 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.235 -0.916 . . . . 0.0 109.386 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.0 -47.91 83.5 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.293 -0.879 . . . . 0.0 109.371 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.489 HD23 ' N ' ' A' ' 108' ' ' ALA . 1.5 tt -61.75 -45.75 92.58 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.301 -0.874 . . . . 0.0 109.535 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.489 ' N ' HD23 ' A' ' 107' ' ' LEU . . . -47.15 -57.44 5.12 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.15 -0.969 . . . . 0.0 109.481 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.661 ' N ' ' OE1' ' A' ' 109' ' ' GLU . 1.0 OUTLIER -66.93 -20.31 65.88 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.251 -0.906 . . . . 0.0 109.498 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -68.69 -30.69 69.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.169 -0.957 . . . . 0.0 109.494 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.543 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 10.4 m-85 -102.58 -75.52 0.6 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.193 -0.942 . . . . 0.0 109.544 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.543 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 1.9 m-20 162.25 45.89 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.28 -0.888 . . . . 0.0 109.47 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.2 pt -127.0 151.63 34.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.115 -0.99 . . . . 0.0 109.386 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.448 HG23 ' CD2' ' A' ' 46' ' ' PHE . 0.5 OUTLIER -98.01 110.17 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.308 -0.87 . . . . 0.0 109.609 -179.863 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.403 ' N ' HD12 ' A' ' 114' ' ' ILE . 15.5 t80 -89.73 127.62 35.97 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.246 -0.909 . . . . 0.0 109.338 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.466 ' CG ' ' O ' ' A' ' 116' ' ' ASP . 0.7 OUTLIER -178.12 81.16 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.127 -0.983 . . . . 0.0 109.488 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.551 ' O ' ' ND1' ' A' ' 44' ' ' HIS . . . 163.13 83.03 0.05 OUTLIER Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.464 ' O ' ' CG ' ' A' ' 118' ' ' TRP . 5.2 p-90 -121.35 132.23 54.65 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.266 -1.137 . . . . 0.0 109.281 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -139.48 165.1 25.87 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.09 150.83 48.27 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.334 -1.097 . . . . 0.0 109.363 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.239 -0.913 . . . . 0.0 109.469 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 12' ' ' GLU . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.649 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.532 ' CD ' ' H ' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -44.03 -57.58 3.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.233 -0.917 . . . . 0.0 109.359 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 14' ' ' ILE . 62.7 mt -50.95 -60.44 3.08 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.224 -0.923 . . . . 0.0 109.415 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 13' ' ' LEU . 49.7 mt -45.3 -47.66 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.275 -0.89 . . . . 0.0 109.541 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.16 -51.0 65.71 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.261 -0.9 . . . . 0.0 109.292 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 83.4 mt -62.29 -24.34 34.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.232 -0.917 . . . . 0.0 109.177 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -73.75 -40.39 63.53 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.343 -0.848 . . . . 0.0 109.158 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -63.81 -33.72 76.3 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.141 -0.974 . . . . 0.0 109.101 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 20' ' ' GLU . 20.6 mt-10 -72.89 -68.87 0.45 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.338 -0.851 . . . . 0.0 109.3 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 19' ' ' GLU . 1.2 tt0 -39.51 -65.39 0.39 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.25 -0.906 . . . . 0.0 109.345 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.519 ' O ' ' C ' ' A' ' 22' ' ' ARG . 2.7 m -44.07 -68.23 0.21 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.288 -0.882 . . . . 0.0 109.33 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.538 ' CG ' HH11 ' A' ' 22' ' ' ARG . 0.0 OUTLIER -37.53 -43.19 0.58 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.348 -0.845 . . . . 0.0 109.267 179.748 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.35 -46.7 87.5 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.222 -0.924 . . . . 0.0 109.59 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.486 ' O ' ' C ' ' A' ' 25' ' ' ILE . 74.7 mt -66.65 -59.4 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.3 -0.875 . . . . 0.0 109.271 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.486 ' C ' ' O ' ' A' ' 24' ' ' ILE . 9.0 mm -39.78 -47.24 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.214 -0.929 . . . . 0.0 109.285 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -57.92 -45.75 86.05 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.303 -0.873 . . . . 0.0 109.551 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . -61.63 -43.56 98.63 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.255 -0.903 . . . . 0.0 109.661 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.5 mt -65.67 -63.9 0.99 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.191 -0.943 . . . . 0.0 109.62 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 30' ' ' GLU . 1.6 mp -50.09 -62.38 1.61 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.163 -0.961 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.526 ' C ' ' OE1' ' A' ' 30' ' ' GLU . 0.7 OUTLIER -41.99 -50.33 4.6 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.186 -0.946 . . . . 0.0 109.334 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.416 ' N ' ' OE1' ' A' ' 30' ' ' GLU . 8.6 t70 -52.69 -43.52 65.66 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.241 -0.912 . . . . 0.0 109.505 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.51 ' O ' ' C ' ' A' ' 33' ' ' SER . . . 134.87 6.55 2.23 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.854 -1.299 . . . . 0.0 109.854 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.51 ' C ' ' O ' ' A' ' 32' ' ' GLY . 65.0 p -38.3 157.02 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.068 -1.254 . . . . 0.0 109.367 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -122.05 91.77 48.9 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.218 -0.926 . . . . 0.0 109.446 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -61.5 2.82 0.44 Allowed 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.954 2.436 . . . . 0.0 112.25 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -86.06 -19.4 30.31 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.19 -0.944 . . . . 0.0 109.693 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.574 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -95.98 25.05 5.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.166 -0.959 . . . . 0.0 109.619 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.574 ' O ' ' O ' ' A' ' 37' ' ' ALA . 3.4 mt 56.59 146.08 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.148 -0.97 . . . . 0.0 109.409 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.405 ' CD1' HD12 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -117.92 167.96 10.95 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.255 -0.903 . . . . 0.0 109.462 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -121.92 135.19 54.86 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.237 -0.915 . . . . 0.0 109.505 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.463 HD12 ' N ' ' A' ' 41' ' ' ILE . 5.2 mp -128.89 151.46 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.288 -0.882 . . . . 0.0 109.4 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.93 150.3 52.19 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.213 -0.929 . . . . 0.0 109.742 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -125.32 153.52 43.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.282 -0.886 . . . . 0.0 109.241 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -118.25 110.17 17.22 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.186 -0.946 . . . . 0.0 109.805 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.644 ' N ' HD12 ' A' ' 45' ' ' LEU . 4.0 mp -124.13 130.81 53.18 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.246 -0.909 . . . . 0.0 109.209 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.717 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -118.8 163.06 17.44 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.102 -0.998 . . . . 0.0 109.899 -179.78 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.575 ' HB2' HG22 ' A' ' 113' ' ' ILE . . . -142.07 177.67 8.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.374 -0.829 . . . . 0.0 109.212 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.704 ' CD ' ' H ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -121.79 -4.73 9.16 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.256 -0.902 . . . . 0.0 109.561 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.533 ' O ' ' C ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -125.09 107.42 10.77 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.196 -0.94 . . . . 0.0 109.548 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.533 ' C ' ' O ' ' A' ' 49' ' ' ASP . 89.2 t80 -36.6 -45.63 0.53 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.208 -0.932 . . . . 0.0 109.365 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.561 ' CG ' ' NZ ' ' A' ' 55' ' ' LYS . 14.9 t0 -61.79 -69.01 0.27 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.235 -0.916 . . . . 0.0 109.234 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 51' ' ' ASP . 3.0 tppt? -40.7 -32.24 0.2 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.264 -0.897 . . . . 0.0 109.229 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.603 ' C ' HD23 ' A' ' 53' ' ' LEU . 6.5 tt -66.99 -51.11 59.19 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.27 -0.893 . . . . 0.0 109.382 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.595 ' O ' HG23 ' A' ' 58' ' ' VAL . 12.3 mt-10 -60.93 -40.97 95.24 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.233 -0.917 . . . . 0.0 109.572 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.561 ' NZ ' ' CG ' ' A' ' 51' ' ' ASP . 47.5 mttp -54.85 -63.85 1.02 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.284 -0.885 . . . . 0.0 109.677 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.66 -45.41 85.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.267 -0.896 . . . . 0.0 109.566 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.94 -64.24 0.88 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.315 -0.866 . . . . 0.0 109.62 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 54' ' ' GLU . 62.1 t -44.73 -44.21 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.199 -0.938 . . . . 0.0 109.452 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.79 -43.65 85.76 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.231 -0.918 . . . . 0.0 109.332 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.57 -45.2 84.22 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.288 -0.882 . . . . 0.0 109.438 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.579 ' O ' ' CD1' ' A' ' 61' ' ' PHE . 5.2 t80 -66.7 -19.64 65.8 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.24 -0.912 . . . . 0.0 109.529 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.5 tttm -77.79 -38.34 46.86 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.196 -0.94 . . . . 0.0 109.375 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 17.8 mtm -68.46 -49.98 55.86 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.261 -0.9 . . . . 0.0 109.483 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 158.19 -16.14 0.29 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.706 -1.358 . . . . 0.0 109.706 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.491 ' CE2' ' SD ' ' A' ' 88' ' ' MET . 57.1 m-85 -64.95 131.47 46.72 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.295 -1.121 . . . . 0.0 109.692 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -86.07 102.17 13.6 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.288 -0.882 . . . . 0.0 109.167 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 9.5 p -63.31 139.71 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.2 -0.937 . . . . 0.0 109.796 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.67 ' N ' ' O ' ' A' ' 85' ' ' ASP . 4.9 mp -111.95 138.74 48.16 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.415 -0.803 . . . . 0.0 109.081 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 68' ' ' LEU . 2.6 mm-40 -41.23 146.95 0.16 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.248 -0.907 . . . . 0.0 109.896 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.73 -179.92 5.03 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.41 -0.806 . . . . 0.0 109.391 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.505 ' O ' ' C ' ' A' ' 72' ' ' GLU . 0.9 OUTLIER -145.16 107.08 4.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.247 -0.908 . . . . 0.0 109.296 179.879 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.602 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -37.91 114.25 0.34 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.237 -0.915 . . . . 0.0 109.189 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.489 1.518 0 O-C-N 121.203 -0.935 . . . . 0.0 109.413 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.0 tttp . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.268 0.556 . . . . 0.0 109.742 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.552 ' C ' HD12 ' A' ' 82' ' ' LEU . 3.3 pp -141.53 173.06 11.86 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.325 -0.86 . . . . 0.0 109.284 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.644 ' N ' HD12 ' A' ' 82' ' ' LEU . 7.1 mp -112.99 136.83 52.24 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.211 -0.93 . . . . 0.0 109.411 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.568 ' SG ' ' O ' ' A' ' 83' ' ' CYS . 30.5 p -126.7 102.27 6.99 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.277 -0.889 . . . . 0.0 109.626 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.483 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 6.7 p90 -94.69 149.14 21.55 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.222 -0.924 . . . . 0.0 109.194 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.67 ' O ' ' N ' ' A' ' 68' ' ' LEU . 3.3 t70 -113.27 147.21 38.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.16 -0.963 . . . . 0.0 109.99 -179.501 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.423 ' HB1' ' HB3' ' A' ' 65' ' ' PHE . . . -126.38 142.9 51.36 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.269 -0.894 . . . . 0.0 109.101 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.2 166.63 12.03 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.191 -0.943 . . . . 0.0 109.881 -179.565 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.491 ' SD ' ' CE2' ' A' ' 65' ' ' PHE . 14.6 ttm -167.23 135.1 2.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.322 -0.861 . . . . 0.0 109.208 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -92.58 146.52 23.6 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.156 -0.965 . . . . 0.0 109.729 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 90.7 p -154.38 -178.16 6.95 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.324 -0.86 . . . . 0.0 109.259 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.539 ' O ' ' C ' ' A' ' 92' ' ' LEU . . . -99.28 43.48 1.06 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.215 -0.928 . . . . 0.0 109.672 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.539 ' C ' ' O ' ' A' ' 91' ' ' ALA . 0.6 OUTLIER 36.11 93.2 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.278 -0.889 . . . . 0.0 109.496 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.499 ' O ' ' C ' ' A' ' 94' ' ' ALA . 0.4 OUTLIER -160.29 110.5 1.82 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.314 -0.866 . . . . 0.0 109.406 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.527 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -38.49 -68.42 0.16 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.203 -0.935 . . . . 0.0 109.492 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.527 ' C ' ' O ' ' A' ' 94' ' ' ALA . 41.1 tttp -34.26 -43.87 0.17 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.307 -0.87 . . . . 0.0 109.757 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.4 mp -69.9 -58.02 4.36 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.17 -0.956 . . . . 0.0 109.609 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 30.1 mt -49.45 -24.51 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.239 -0.913 . . . . 0.0 109.515 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.93 -57.57 3.88 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.275 -0.891 . . . . 0.0 109.614 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -55.87 -40.06 72.4 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.219 -0.926 . . . . 0.0 109.679 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.551 ' N ' ' OE1' ' A' ' 100' ' ' GLN . 2.1 mp0 -68.08 -53.23 27.06 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.203 -0.936 . . . . 0.0 109.711 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.529 HG13 ' CE2' ' A' ' 115' ' ' TYR . 10.2 t -57.83 -33.48 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.192 -0.942 . . . . 0.0 109.578 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -66.35 -39.26 89.07 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.245 -0.909 . . . . 0.0 109.513 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -60.79 -51.68 68.3 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.271 -0.893 . . . . 0.0 109.401 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 17.1 mt -61.28 -25.06 66.84 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.237 -0.915 . . . . 0.0 109.421 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 106' ' ' ASN . 3.1 t -72.94 -61.8 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.248 -0.907 . . . . 0.0 109.508 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.421 ' N ' HG12 ' A' ' 105' ' ' VAL . 11.6 m-20 -55.2 -42.18 72.95 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.212 -0.93 . . . . 0.0 109.576 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.7 tp -66.33 -52.21 49.48 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.293 -0.88 . . . . 0.0 109.425 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.432 ' HB1' HG13 ' A' ' 113' ' ' ILE . . . -47.54 -56.36 7.27 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.328 -0.857 . . . . 0.0 110.137 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -66.64 -40.6 88.79 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.159 -0.963 . . . . 0.0 110.06 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -50.35 -28.48 8.05 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.189 -0.944 . . . . 0.0 109.919 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.5 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 9.0 m-85 -100.03 -74.73 0.59 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.092 -1.005 . . . . 0.0 109.519 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.9 OUTLIER 165.08 34.34 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.263 -0.898 . . . . 0.0 109.232 -179.797 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.575 HG22 ' HB2' ' A' ' 47' ' ' ALA . 30.7 pt -124.48 156.76 32.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.365 -0.834 . . . . 0.0 109.37 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.455 HG23 ' CE2' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -106.07 144.07 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.21 -0.931 . . . . 0.0 109.751 -179.658 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.671 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 2.0 t80 -120.04 90.23 3.29 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.333 -0.854 . . . . 0.0 109.144 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -136.57 78.9 1.73 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.185 -0.947 . . . . 0.0 109.492 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 167.02 79.79 0.04 OUTLIER Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.414 ' CD2' ' C ' ' A' ' 118' ' ' TRP . 3.3 p-90 -118.68 140.25 50.22 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.241 -1.152 . . . . 0.0 109.409 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -154.81 169.93 33.04 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.69 138.71 46.0 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.284 -1.127 . . . . 0.0 109.344 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 6.6 t80 . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.209 -0.932 . . . . 0.0 109.611 -179.934 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.438 ' H ' ' HG2' ' A' ' 12' ' ' GLU . 24.1 mm-40 -71.53 -55.41 7.88 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.353 -0.842 . . . . 0.0 109.351 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.408 ' H ' ' HG ' ' A' ' 13' ' ' LEU . 31.2 mt -49.83 -52.44 32.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.308 -0.87 . . . . 0.0 109.241 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.41 -37.27 50.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.334 -0.854 . . . . 0.0 109.502 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.51 -57.21 7.8 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.371 -0.83 . . . . 0.0 109.756 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 67.9 mt -47.77 -54.43 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.28 -0.888 . . . . 0.0 109.681 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.422 ' O ' ' OG1' ' A' ' 21' ' ' THR . 1.0 OUTLIER -65.63 -18.4 65.29 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.178 -0.951 . . . . 0.0 109.693 -179.706 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -66.41 -45.58 79.47 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.132 -0.98 . . . . 0.0 109.184 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -74.02 -55.1 6.54 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.383 -0.823 . . . . 0.0 109.508 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -53.87 -46.02 71.19 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.216 -0.928 . . . . 0.0 109.656 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 17' ' ' GLN . 37.7 m -55.39 -50.74 68.95 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.224 -0.922 . . . . 0.0 109.548 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.713 ' CG ' HH11 ' A' ' 22' ' ' ARG . 0.0 OUTLIER -53.19 -43.87 67.51 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.213 -0.929 . . . . 0.0 109.614 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -59.16 -47.95 83.41 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.217 -0.927 . . . . 0.0 109.682 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 95.0 mt -58.32 -67.13 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.23 -0.919 . . . . 0.0 109.608 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.475 HD12 ' N ' ' A' ' 25' ' ' ILE . 1.4 mp -46.08 -44.11 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.159 -0.963 . . . . 0.0 109.493 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.565 ' O ' ' N ' ' A' ' 29' ' ' LEU . 14.9 mm-40 -50.9 -65.94 0.47 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.284 -0.885 . . . . 0.0 109.478 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 26' ' ' GLN . . . -39.0 -45.11 1.16 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.257 -0.902 . . . . 0.0 109.549 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 mt -64.94 -31.81 73.22 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.27 -0.894 . . . . 0.0 109.726 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.565 ' N ' ' O ' ' A' ' 26' ' ' GLN . 1.5 mp -71.04 -54.78 9.96 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.106 -0.996 . . . . 0.0 109.466 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -60.15 -18.95 51.35 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.206 -0.933 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -80.56 -30.37 37.01 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.272 -0.893 . . . . 0.0 109.506 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.14 16.56 2.35 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.439 ' HG ' ' HH ' ' A' ' 39' ' ' TYR . 38.4 t -66.93 131.06 45.11 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -1.165 . . . . 0.0 109.448 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -103.19 146.23 32.06 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.366 -0.833 . . . . 0.0 109.393 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -71.63 -11.15 27.72 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.788 2.325 . . . . 0.0 112.316 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.42 ' C ' ' OD1' ' A' ' 36' ' ' ASP . 56.5 p30 -100.82 1.67 40.37 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.193 -0.942 . . . . 0.0 109.554 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.482 ' O ' ' CB ' ' A' ' 38' ' ' LEU . . . -80.71 -25.04 38.38 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.266 -0.896 . . . . 0.0 109.464 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.482 ' CB ' ' O ' ' A' ' 37' ' ' ALA . 1.2 tp 73.98 140.9 0.06 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.189 -0.945 . . . . 0.0 109.202 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.456 ' CD1' ' HB2' ' A' ' 92' ' ' LEU . 10.4 m-85 -127.12 164.85 20.69 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.273 -0.892 . . . . 0.0 109.753 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -111.31 101.2 9.69 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.292 -0.88 . . . . 0.0 109.312 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.438 ' N ' HD13 ' A' ' 41' ' ' ILE . 7.9 mm -74.85 131.12 35.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.267 -0.895 . . . . 0.0 109.584 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 119' ' ' GLY . 9.0 pt-20 -123.0 118.25 27.35 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.247 -0.908 . . . . 0.0 109.529 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.48 ' CD2' ' CD1' ' A' ' 104' ' ' LEU . 87.8 m-70 -103.55 155.51 18.48 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.256 -0.902 . . . . 0.0 109.48 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.25 104.88 6.68 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.243 -0.91 . . . . 0.0 109.549 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 mp -115.65 152.15 33.68 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.294 -0.878 . . . . 0.0 109.237 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.693 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -133.8 163.82 28.63 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.09 -1.006 . . . . 0.0 109.845 -179.716 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.566 ' HB2' HG22 ' A' ' 113' ' ' ILE . . . -149.13 176.67 10.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.372 -0.83 . . . . 0.0 109.284 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -112.69 -28.83 7.65 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.161 -0.962 . . . . 0.0 109.419 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 50' ' ' PHE . 1.2 m-20 -98.66 100.63 11.88 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.261 -0.899 . . . . 0.0 109.535 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' A' ' 49' ' ' ASP . 71.2 t80 -41.86 -42.96 2.86 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.182 -0.948 . . . . 0.0 109.452 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -60.32 3.57 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.189 -0.944 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.36 -21.86 38.52 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.288 -0.882 . . . . 0.0 109.406 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.462 ' C ' HD23 ' A' ' 53' ' ' LEU . 5.3 tt -69.09 -53.49 20.04 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.228 -0.92 . . . . 0.0 109.495 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.591 ' O ' HG23 ' A' ' 58' ' ' VAL . 1.8 mm-40 -63.1 -23.97 67.69 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.283 -0.885 . . . . 0.0 109.329 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -69.03 -60.8 2.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.285 -0.884 . . . . 0.0 109.227 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.23 86.75 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.23 -0.919 . . . . 0.0 109.227 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.5 -48.9 76.19 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.265 -0.897 . . . . 0.0 109.122 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 54' ' ' GLU . 11.0 t -55.14 -46.75 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.241 -0.912 . . . . 0.0 109.227 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.548 ' O ' ' OE1' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -63.39 -34.42 77.7 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.286 -0.884 . . . . 0.0 109.335 179.857 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.498 ' O ' ' C ' ' A' ' 61' ' ' PHE . . . -69.75 -64.82 0.81 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.265 -0.897 . . . . 0.0 109.374 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.498 ' C ' ' O ' ' A' ' 60' ' ' ALA . 62.8 t80 -40.17 -39.43 0.91 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.26 -0.9 . . . . 0.0 109.167 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -65.32 -46.76 79.02 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.272 -0.893 . . . . 0.0 109.299 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 60' ' ' ALA . 7.5 tpp -45.75 -42.95 12.58 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.367 -0.833 . . . . 0.0 109.39 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.4 8.78 0.7 Allowed Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.755 ' CZ ' ' SD ' ' A' ' 88' ' ' MET . 8.9 m-85 -94.1 164.42 13.07 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.267 -1.137 . . . . 0.0 109.482 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -106.47 94.8 5.34 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.372 -0.83 . . . . 0.0 109.279 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' ' 67' ' ' VAL . 14.1 p -61.58 134.69 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.249 -0.907 . . . . 0.0 109.606 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.656 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -111.54 141.46 45.09 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.302 -0.874 . . . . 0.0 109.36 179.821 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 68' ' ' LEU . 5.9 mm-40 -44.39 158.37 0.05 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.272 -0.893 . . . . 0.0 109.445 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.96 177.67 5.03 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.238 -0.914 . . . . 0.0 109.534 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.597 ' O ' ' N ' ' A' ' 73' ' ' THR . 6.2 tt0 -144.09 106.98 4.47 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.202 -0.936 . . . . 0.0 109.491 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.525 ' C ' ' O ' ' A' ' 71' ' ' GLU . 14.1 mt-10 -36.33 93.81 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.275 -0.891 . . . . 0.0 109.292 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.597 ' N ' ' O ' ' A' ' 71' ' ' GLU . 7.9 t . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.249 -0.907 . . . . 0.0 109.753 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.45 146.36 13.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.257 -0.902 . . . . 0.0 109.599 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.596 ' N ' HD12 ' A' ' 82' ' ' LEU . 7.0 mp -84.69 137.18 33.39 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.289 -0.882 . . . . 0.0 109.29 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 23.6 t -129.28 101.25 5.91 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.182 -0.949 . . . . 0.0 109.772 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.535 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 2.5 p90 -91.97 146.14 23.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.189 -0.945 . . . . 0.0 108.941 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.656 ' O ' ' N ' ' A' ' 68' ' ' LEU . 2.6 t70 -106.67 156.52 18.53 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.26 -0.9 . . . . 0.0 110.112 -179.307 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -127.4 152.65 47.24 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.31 147.0 51.98 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.048 -1.033 . . . . 0.0 109.967 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.755 ' SD ' ' CZ ' ' A' ' 65' ' ' PHE . 3.4 ttt -154.79 104.81 2.54 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.411 -0.806 . . . . 0.0 109.306 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.03 113.14 7.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.268 -0.895 . . . . 0.0 109.488 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 24.4 p -141.82 -179.45 6.2 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.203 -0.936 . . . . 0.0 109.455 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.39 -175.11 0.76 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.236 -0.915 . . . . 0.0 109.542 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.456 ' HB2' ' CD1' ' A' ' 39' ' ' TYR . 40.7 tp -113.45 102.38 10.26 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.301 -0.875 . . . . 0.0 109.4 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -160.85 143.07 12.51 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.256 -0.903 . . . . 0.0 109.513 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.9 -50.31 50.71 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.306 -0.871 . . . . 0.0 109.517 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.43 ' O ' ' OE2' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -52.37 -51.05 61.02 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.247 -0.908 . . . . 0.0 109.35 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.541 ' CD2' HE22 ' A' ' 100' ' ' GLN . 0.8 OUTLIER -60.61 -35.6 76.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.316 -0.865 . . . . 0.0 109.316 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 16.5 mt -71.67 -21.14 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.373 -0.829 . . . . 0.0 109.531 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -77.53 -37.24 51.3 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.261 -0.899 . . . . 0.0 109.234 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.43 ' OE2' ' O ' ' A' ' 95' ' ' LYS . 0.7 OUTLIER -68.63 -48.36 64.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.201 -0.937 . . . . 0.0 109.336 179.805 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.571 ' N ' ' OE1' ' A' ' 100' ' ' GLN . 0.1 OUTLIER -61.13 -51.78 67.63 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.263 -0.898 . . . . 0.0 109.026 179.717 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.663 HG13 ' CZ ' ' A' ' 115' ' ' TYR . 78.7 t -60.89 -27.63 41.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.358 -0.839 . . . . 0.0 109.185 179.527 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -64.11 -42.8 96.73 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.286 -0.884 . . . . 0.0 109.157 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -63.07 -45.05 93.99 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.288 -0.882 . . . . 0.0 109.046 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.48 ' CD1' ' CD2' ' A' ' 43' ' ' HIS . 38.9 mt -65.64 -28.36 69.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.343 -0.848 . . . . 0.0 109.487 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.9 t -71.92 -57.31 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.264 -0.898 . . . . 0.0 109.588 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -61.93 -51.46 68.02 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.324 -0.86 . . . . 0.0 109.944 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.84 -46.27 74.6 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.152 -0.968 . . . . 0.0 109.761 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.46 ' HB1' HG13 ' A' ' 113' ' ' ILE . . . -59.79 -51.04 71.44 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.203 -0.936 . . . . 0.0 109.91 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.63 -22.63 67.02 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.155 -0.966 . . . . 0.0 109.731 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -78.71 -24.42 44.95 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.13 -0.981 . . . . 0.0 109.395 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.587 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 7.0 m-85 -95.19 -72.72 0.61 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.281 -0.887 . . . . 0.0 109.32 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.587 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 1.2 m-20 158.99 34.04 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.326 -0.858 . . . . 0.0 109.479 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.566 HG22 ' HB2' ' A' ' 47' ' ' ALA . 2.1 pt -125.08 168.85 17.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.211 -0.931 . . . . 0.0 109.247 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.2 tt -111.58 151.37 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.149 -0.97 . . . . 0.0 109.588 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.663 ' CZ ' HG13 ' A' ' 101' ' ' VAL . 14.3 t80 -116.98 96.05 5.28 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.292 -0.88 . . . . 0.0 109.345 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -150.7 87.14 1.41 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.209 -0.932 . . . . 0.0 109.578 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 156.44 70.11 0.01 OUTLIER Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 7.7 p-90 -116.12 159.8 21.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.223 -1.163 . . . . 0.0 109.536 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLY . . . . . 0.43 ' O ' ' CG ' ' A' ' 42' ' ' GLU . . . -167.81 169.95 41.56 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 5.0 t -136.64 138.53 41.24 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.238 -1.154 . . . . 0.0 109.41 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.29 -0.881 . . . . 0.0 109.675 -179.737 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.512 ' O ' ' OE2' ' A' ' 15' ' ' GLU . 43.9 tt0 . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.22 0.533 . . . . 0.0 109.562 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.81 -58.55 6.47 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.271 -0.893 . . . . 0.0 109.723 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.507 ' N ' HD23 ' A' ' 13' ' ' LEU . 6.2 mt -46.68 -46.2 19.9 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.305 -0.872 . . . . 0.0 109.971 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' GLU . 41.3 mt -57.66 -69.26 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.202 -0.936 . . . . 0.0 109.779 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.512 ' OE2' ' O ' ' A' ' 11' ' ' GLU . 0.7 OUTLIER -44.92 -41.54 7.3 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.155 -0.966 . . . . 0.0 109.763 -179.77 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.0 mt -61.07 -43.57 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.218 -0.926 . . . . 0.0 109.808 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -73.25 -13.58 61.17 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.192 -0.943 . . . . 0.0 109.738 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.416 ' CE ' ' OD2' ' A' ' 98' ' ' ASP . 15.2 mttt -78.7 -42.23 28.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.2 -0.938 . . . . 0.0 109.571 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -74.34 -43.47 56.46 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.24 -0.913 . . . . 0.0 109.53 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -60.94 -51.99 66.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.238 -0.913 . . . . 0.0 109.571 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.48 ' O ' ' C ' ' A' ' 22' ' ' ARG . 30.9 m -54.93 -59.47 4.69 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.242 -0.912 . . . . 0.0 109.703 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 21' ' ' THR . 0.5 OUTLIER -39.48 -49.91 2.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.243 -0.911 . . . . 0.0 109.61 -179.804 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -55.14 -43.54 74.28 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.2 -0.938 . . . . 0.0 109.723 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 25' ' ' ILE . 62.4 mt -65.02 -63.41 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.309 -0.87 . . . . 0.0 109.786 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.465 ' N ' HD13 ' A' ' 25' ' ' ILE . 5.6 mm -42.52 -50.37 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.199 -0.938 . . . . 0.0 109.703 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -57.68 -56.47 21.47 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.2 -0.937 . . . . 0.0 109.353 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.03 -51.25 13.96 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.322 -0.861 . . . . 0.0 109.647 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.575 ' O ' ' N ' ' A' ' 31' ' ' ASP . 7.9 mp -52.25 -61.47 2.25 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.173 -0.955 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 28' ' ' LEU . 2.6 mt -43.13 -49.52 6.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.224 -0.923 . . . . 0.0 109.192 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.88 -24.66 58.65 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.273 -0.892 . . . . 0.0 109.131 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.575 ' N ' ' O ' ' A' ' 28' ' ' LEU . 15.0 m-20 -81.25 -13.67 58.26 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.34 -0.85 . . . . 0.0 109.227 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.49 ' O ' ' OD1' ' A' ' 34' ' ' ASP . . . 93.34 13.09 56.48 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.729 -1.348 . . . . 0.0 109.729 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.2 t -61.98 84.89 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.149 -1.207 . . . . 0.0 109.405 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.49 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -50.14 131.9 23.72 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.232 -0.917 . . . . 0.0 109.406 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -71.38 -4.18 14.45 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 C-N-CA 122.507 2.138 . . . . 0.0 112.073 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -83.97 -5.43 59.22 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.332 -0.855 . . . . 0.0 109.405 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.57 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -91.77 7.96 39.35 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.194 -0.941 . . . . 0.0 109.641 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.57 ' O ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER 54.61 157.06 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.175 -0.953 . . . . 0.0 109.183 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -135.93 141.97 44.56 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.092 -1.005 . . . . 0.0 109.862 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -98.82 116.27 30.68 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.367 -0.833 . . . . 0.0 109.293 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mm -99.4 140.21 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.27 -0.894 . . . . 0.0 109.423 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -126.58 146.17 50.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.198 -0.939 . . . . 0.0 109.43 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.557 ' CD2' ' N ' ' A' ' 43' ' ' HIS . 2.2 m-70 -126.27 147.05 49.77 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.228 -0.92 . . . . 0.0 109.61 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -114.02 125.95 54.57 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.277 -0.89 . . . . 0.0 109.33 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.422 ' HB2' ' CE2' ' A' ' 84' ' ' PHE . 4.3 mp -133.83 136.2 44.28 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.209 -0.932 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.506 ' CD1' ' N ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -121.11 163.45 18.39 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.18 -0.95 . . . . 0.0 109.828 -179.788 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.82 179.99 7.08 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.43 -0.794 . . . . 0.0 109.447 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -122.38 -29.65 4.09 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.251 -0.906 . . . . 0.0 109.68 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.52 ' O ' ' C ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -107.7 101.17 10.5 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.177 -0.952 . . . . 0.0 109.619 -179.837 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.575 ' CE2' HD11 ' A' ' 82' ' ' LEU . 0.7 OUTLIER -34.61 -42.25 0.14 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.316 -0.865 . . . . 0.0 109.697 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -52.51 -76.12 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.156 -0.965 . . . . 0.0 109.38 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.39 -25.55 0.67 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.19 -0.943 . . . . 0.0 109.366 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.603 ' O ' HD23 ' A' ' 53' ' ' LEU . 3.3 tt -66.6 -55.98 12.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.36 -0.838 . . . . 0.0 109.566 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.542 ' O ' HG23 ' A' ' 58' ' ' VAL . 11.4 tt0 -60.96 -30.91 70.53 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.242 -0.912 . . . . 0.0 109.679 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -67.39 -59.42 3.41 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.136 -0.978 . . . . 0.0 109.587 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.54 -37.23 83.03 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.233 -0.917 . . . . 0.0 109.609 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.61 -48.75 76.03 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.209 -0.932 . . . . 0.0 109.607 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 54' ' ' GLU . 41.0 t -54.45 -49.2 67.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.233 -0.917 . . . . 0.0 109.656 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.535 ' O ' ' C ' ' A' ' 60' ' ' ALA . 2.0 tp10 -57.91 -62.73 1.6 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.22 -0.925 . . . . 0.0 109.623 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.535 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . -34.79 -43.85 0.2 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.344 -0.848 . . . . 0.0 109.675 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -68.18 -57.73 5.56 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.146 -0.971 . . . . 0.0 109.533 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.5 mtpt -50.63 -20.77 1.3 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.236 -0.915 . . . . 0.0 109.584 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.7 tpp -74.68 -52.37 11.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.087 -1.008 . . . . 0.0 109.445 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 151.19 36.78 0.03 OUTLIER Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.511 -1.435 . . . . 0.0 109.511 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.624 ' CE2' ' SD ' ' A' ' 88' ' ' MET . 10.6 m-85 -124.0 156.58 36.18 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.349 -1.089 . . . . 0.0 109.607 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 67' ' ' VAL . 75.0 mt-10 -96.0 70.69 2.88 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.299 -0.876 . . . . 0.0 109.18 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 66' ' ' GLU . 7.2 p -44.54 156.78 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.316 -0.865 . . . . 0.0 109.707 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.67 ' N ' ' O ' ' A' ' 85' ' ' ASP . 1.3 tp -138.08 136.22 36.57 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.397 -0.814 . . . . 0.0 109.247 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 68' ' ' LEU . 5.6 mt-10 -44.55 162.65 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.157 -0.965 . . . . 0.0 109.611 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.461 ' HB1' ' H ' ' A' ' 83' ' ' CYS . . . -109.93 -179.92 3.93 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.26 -0.9 . . . . 0.0 109.465 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -135.11 -171.58 2.84 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.21 -0.931 . . . . 0.0 109.502 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -104.4 102.44 12.1 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.258 -0.901 . . . . 0.0 109.436 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.251 -0.905 . . . . 0.0 109.658 -179.873 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.1 tttp . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.493 ' H ' HD12 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -154.93 -163.54 1.59 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.196 -0.94 . . . . 0.0 109.581 -179.908 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.575 HD11 ' CE2' ' A' ' 50' ' ' PHE . 2.4 mp -126.62 143.07 51.34 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.249 -0.907 . . . . 0.0 109.74 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.461 ' H ' ' HB1' ' A' ' 70' ' ' ALA . 7.8 m -135.36 109.85 8.51 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.412 -0.805 . . . . 0.0 109.67 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.627 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 1.0 OUTLIER -97.43 154.49 17.44 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.269 -0.895 . . . . 0.0 109.231 179.631 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.67 ' O ' ' N ' ' A' ' 68' ' ' LEU . 10.0 t70 -116.85 159.33 22.54 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.189 -0.944 . . . . 0.0 109.765 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -137.68 142.94 41.09 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.368 -0.833 . . . . 0.0 109.153 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.47 152.09 35.75 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.188 -0.945 . . . . 0.0 109.726 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.624 ' SD ' ' CE2' ' A' ' 65' ' ' PHE . 7.6 ttt -148.9 140.08 23.13 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.43 -0.794 . . . . 0.0 109.145 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.615 ' CD ' ' N ' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -107.78 116.24 31.59 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.093 -1.004 . . . . 0.0 109.573 -179.862 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.459 ' OG ' HD23 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -150.8 155.76 39.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.25 -0.906 . . . . 0.0 109.284 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.69 155.81 21.71 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.173 -0.954 . . . . 0.0 109.278 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.6 tp -72.53 98.74 2.36 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.188 -0.945 . . . . 0.0 109.444 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -146.0 127.69 15.24 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.145 -0.972 . . . . 0.0 109.607 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.9 -34.06 77.26 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.188 -0.945 . . . . 0.0 109.266 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -57.96 -51.28 70.31 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.303 -0.873 . . . . 0.0 109.184 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 98' ' ' ASP . 8.6 tp -64.04 -68.5 0.35 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.284 -0.885 . . . . 0.0 109.11 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.535 ' C ' ' O ' ' A' ' 96' ' ' LEU . 91.6 mt -36.4 -32.51 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.257 -0.902 . . . . 0.0 109.22 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.535 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -66.65 -56.45 10.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.264 -0.898 . . . . 0.0 109.297 179.908 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -63.56 -37.31 86.84 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.266 -0.896 . . . . 0.0 109.149 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -58.33 -53.58 56.74 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.33 -0.856 . . . . 0.0 109.137 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' A' ' 102' ' ' GLU . 21.1 t -66.09 -58.88 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.361 -0.837 . . . . 0.0 109.329 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 101' ' ' VAL . 21.8 tt0 -39.5 -32.72 0.13 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.212 -0.93 . . . . 0.0 109.335 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 101' ' ' VAL . 3.2 mmtt -76.13 -60.6 2.26 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.279 -0.888 . . . . 0.0 109.229 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.426 HD11 ' CE2' ' A' ' 65' ' ' PHE . 27.8 mt -50.38 -23.72 2.56 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.279 -0.888 . . . . 0.0 109.332 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 78.1 t -75.29 -61.2 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.327 -0.858 . . . . 0.0 109.376 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -49.88 -47.71 51.79 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.174 -0.954 . . . . 0.0 109.271 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 108' ' ' ALA . 0.8 OUTLIER -57.29 -57.5 12.34 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.229 -0.919 . . . . 0.0 109.464 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.496 ' HB1' HG13 ' A' ' 113' ' ' ILE . . . -41.44 -62.41 0.87 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.132 -0.98 . . . . 0.0 109.562 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -55.3 -38.4 68.6 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.319 -0.863 . . . . 0.0 109.717 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.4 tttp -50.37 -35.68 29.09 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.152 -0.968 . . . . 0.0 109.652 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 77.8 m-85 -96.54 -77.12 0.49 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.23 -0.919 . . . . 0.0 109.725 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.7 OUTLIER 166.02 32.42 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.252 -0.905 . . . . 0.0 109.601 -179.911 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.496 HG13 ' HB1' ' A' ' 108' ' ' ALA . 25.1 pt -115.94 174.85 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.222 -0.924 . . . . 0.0 109.281 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 115' ' ' TYR . 0.6 OUTLIER -118.22 146.15 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.248 -0.907 . . . . 0.0 109.751 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.692 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 1.3 t80 -114.88 100.11 7.97 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.438 -0.789 . . . . 0.0 108.959 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -150.84 82.87 1.34 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.18 -0.95 . . . . 0.0 109.642 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 161.54 73.06 0.02 OUTLIER Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.739 -1.345 . . . . 0.0 109.739 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.417 ' HZ2' HD12 ' A' ' 24' ' ' ILE . 5.4 p-90 -118.02 155.8 29.67 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.208 -1.172 . . . . 0.0 109.341 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 170.97 156.14 11.25 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 5.3 t -113.35 176.55 4.97 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.258 -1.142 . . . . 0.0 109.486 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.185 -0.947 . . . . 0.0 109.545 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.457 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 5.2 pt-20 -58.32 -29.55 65.99 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.143 -0.973 . . . . 0.0 109.172 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 14' ' ' ILE . 77.5 mt -72.83 -61.82 1.67 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.194 -0.941 . . . . 0.0 108.979 179.382 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' LEU . 10.5 mt -43.74 -43.83 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.435 -0.791 . . . . 0.0 109.321 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -56.08 -58.43 7.95 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.209 -0.932 . . . . 0.0 109.192 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.9 mt -51.06 -51.41 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.318 -0.864 . . . . 0.0 109.387 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.53 -48.09 66.3 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.296 -0.878 . . . . 0.0 109.389 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.17 -47.66 71.76 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.163 -0.961 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 20' ' ' GLU . 1.7 mm-40 -56.48 -68.73 0.19 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.289 -0.882 . . . . 0.0 109.45 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' A' ' 21' ' ' THR . 40.2 mt-10 -43.61 -63.33 0.86 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.265 -0.897 . . . . 0.0 109.143 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.504 ' O ' ' C ' ' A' ' 22' ' ' ARG . 9.0 m -38.91 -66.97 0.24 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.32 -0.862 . . . . 0.0 109.35 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.504 ' C ' ' O ' ' A' ' 21' ' ' THR . 0.6 OUTLIER -38.8 -48.82 1.57 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.233 -0.917 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -55.81 -54.7 41.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.295 -0.878 . . . . 0.0 109.485 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.453 ' O ' ' C ' ' A' ' 25' ' ' ILE . 83.0 mt -58.11 -64.35 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.243 -0.91 . . . . 0.0 109.459 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.453 ' C ' ' O ' ' A' ' 24' ' ' ILE . 15.8 mm -41.27 -46.53 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.277 -0.89 . . . . 0.0 109.604 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -57.82 -43.0 85.48 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.279 -0.888 . . . . 0.0 109.747 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.64 -43.74 98.04 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.152 -0.968 . . . . 0.0 109.712 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.2 mt -60.7 -51.88 67.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.226 -0.921 . . . . 0.0 109.721 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' A' ' 29' ' ' LEU . 5.2 mt -56.68 -55.83 29.17 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.185 -0.947 . . . . 0.0 109.521 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -49.26 -28.56 4.8 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.346 -0.847 . . . . 0.0 109.434 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -72.72 -18.08 61.56 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.271 -0.893 . . . . 0.0 109.45 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.461 ' O ' ' O ' ' A' ' 33' ' ' SER . . . 79.43 37.73 23.26 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.59 ' OG ' ' N ' ' A' ' 34' ' ' ASP . 2.0 p -60.71 -143.4 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.268 -1.136 . . . . 0.0 109.465 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.59 ' N ' ' OG ' ' A' ' 33' ' ' SER . 0.6 OUTLIER -144.15 69.99 16.2 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.194 -0.942 . . . . 0.0 109.546 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -54.64 -8.3 1.2 Allowed 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.816 2.344 . . . . 0.0 112.141 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -83.59 -24.55 31.47 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.274 -0.891 . . . . 0.0 109.632 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.503 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -86.92 28.57 0.89 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.188 -0.945 . . . . 0.0 109.504 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.503 ' O ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER 55.14 162.51 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.169 -0.957 . . . . 0.0 109.251 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.74 167.99 18.55 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.241 -0.912 . . . . 0.0 109.54 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -123.19 124.79 43.82 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.333 -0.854 . . . . 0.0 109.49 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.489 HD12 ' N ' ' A' ' 41' ' ' ILE . 1.8 mp -104.6 154.16 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.21 -0.931 . . . . 0.0 109.37 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.403 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 17.2 tt0 -133.33 118.76 18.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.28 -0.887 . . . . 0.0 109.605 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -102.06 152.48 20.93 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.361 -0.837 . . . . 0.0 109.36 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.66 ' C ' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -123.46 129.97 52.01 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.267 -0.895 . . . . 0.0 109.338 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.66 HD12 ' C ' ' A' ' 44' ' ' HIS . 5.7 mp -141.7 138.3 32.33 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.232 -0.917 . . . . 0.0 109.456 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.694 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -125.87 171.69 10.5 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.24 -0.912 . . . . 0.0 109.594 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.846 ' HB2' HG22 ' A' ' 113' ' ' ILE . . . -154.59 172.62 17.55 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.397 -0.814 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -112.75 -23.5 10.13 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.297 -0.877 . . . . 0.0 109.326 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.52 ' O ' ' C ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -102.38 91.9 4.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.268 -0.895 . . . . 0.0 109.264 179.868 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.701 ' CD1' ' N ' ' A' ' 51' ' ' ASP . 1.3 p90 -37.16 -42.67 0.46 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.207 -0.933 . . . . 0.0 109.481 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.701 ' N ' ' CD1' ' A' ' 50' ' ' PHE . 54.3 t0 -55.14 -66.79 0.35 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.26 -0.9 . . . . 0.0 109.379 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.49 -32.74 28.49 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.165 -0.96 . . . . 0.0 109.272 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.615 ' O ' HD23 ' A' ' 53' ' ' LEU . 4.6 tt -58.76 -52.24 66.56 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.261 -0.899 . . . . 0.0 109.476 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -57.12 -35.16 69.13 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.306 -0.871 . . . . 0.0 109.698 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -62.86 -68.39 0.34 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.194 -0.941 . . . . 0.0 110.003 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.42 ' HB2' ' CG ' ' A' ' 111' ' ' PHE . . . -56.45 -21.71 27.31 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.162 -0.961 . . . . 0.0 110.17 -179.41 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.05 -51.59 10.07 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.041 -1.037 . . . . 0.0 109.68 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.9 t -59.1 -27.21 35.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.323 -0.861 . . . . 0.0 109.873 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.61 -52.22 12.34 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.078 -1.014 . . . . 0.0 109.446 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.36 -42.35 81.88 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.195 -0.94 . . . . 0.0 109.395 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -65.2 -36.99 85.9 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.277 -0.89 . . . . 0.0 109.341 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -74.5 -17.76 60.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.276 -0.89 . . . . 0.0 109.456 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 5.5 ttm -76.4 -52.14 10.47 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.286 -0.883 . . . . 0.0 109.381 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 159.26 1.04 0.08 OUTLIER Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.431 -1.467 . . . . 0.0 109.431 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -83.66 169.04 15.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.266 -1.137 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -115.9 81.63 1.63 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.203 -0.936 . . . . 0.0 109.156 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.0 p -55.93 139.93 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.333 -0.855 . . . . 0.0 110.031 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.671 ' N ' ' O ' ' A' ' 85' ' ' ASP . 1.0 OUTLIER -118.87 140.07 50.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.413 -0.804 . . . . 0.0 108.886 179.597 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 68' ' ' LEU . 17.1 mt-10 -42.22 149.77 0.15 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.15 -0.969 . . . . 0.0 109.502 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.453 ' HB1' ' H ' ' A' ' 83' ' ' CYS . . . -95.37 175.48 6.56 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.286 -0.884 . . . . 0.0 109.795 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.529 ' O ' ' C ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -132.32 98.09 4.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.432 -0.793 . . . . 0.0 109.413 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.529 ' C ' ' O ' ' A' ' 71' ' ' GLU . 19.3 mt-10 -36.8 109.18 0.09 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.262 -0.899 . . . . 0.0 109.485 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.691 HG22 ' SG ' ' A' ' 83' ' ' CYS . 8.9 t . . . . . 0 N--CA 1.489 1.525 0 O-C-N 121.253 -0.904 . . . . 0.0 109.428 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.6 pttp . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.43 -169.3 3.1 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.172 -0.955 . . . . 0.0 109.737 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.521 ' N ' HD12 ' A' ' 82' ' ' LEU . 4.6 mp -121.72 142.3 50.31 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.28 -0.887 . . . . 0.0 109.428 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.691 ' SG ' HG22 ' A' ' 73' ' ' THR . 0.0 OUTLIER -133.28 105.22 6.85 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.259 -0.901 . . . . 0.0 109.78 -179.853 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.616 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 1.0 OUTLIER -93.83 155.74 17.04 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.165 -0.959 . . . . 0.0 109.207 179.684 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.671 ' O ' ' N ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -111.67 147.56 35.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.213 -0.929 . . . . 0.0 109.877 -179.571 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -126.77 122.47 34.9 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.248 -0.908 . . . . 0.0 109.278 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.96 158.25 16.67 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.232 -0.917 . . . . 0.0 109.679 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 2.1 ttm -159.5 142.41 14.08 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.243 -0.91 . . . . 0.0 109.484 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLN . . . . . 0.426 ' OE1' ' N ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER -92.4 121.08 33.53 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.129 -0.982 . . . . 0.0 109.326 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.81 154.23 38.1 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.284 -0.885 . . . . 0.0 109.534 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.14 152.71 43.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.207 -0.933 . . . . 0.0 109.489 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.1 tp -70.21 118.49 13.11 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.299 -0.876 . . . . 0.0 109.613 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.476 ' HB2' HD22 ' A' ' 96' ' ' LEU . 6.7 m-20 -172.23 135.21 0.75 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.279 -0.888 . . . . 0.0 109.367 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.502 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -65.36 -68.74 0.34 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.252 -0.905 . . . . 0.0 109.458 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 94' ' ' ALA . 0.3 OUTLIER -37.12 -39.68 0.26 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.291 -0.88 . . . . 0.0 109.423 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.476 HD22 ' HB2' ' A' ' 93' ' ' ASP . 2.8 mp -60.61 -61.27 2.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.296 -0.878 . . . . 0.0 109.454 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.546 ' O ' HG23 ' A' ' 101' ' ' VAL . 19.3 mt -55.02 -28.48 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.215 -0.928 . . . . 0.0 109.612 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -64.38 -54.5 31.87 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.199 -0.938 . . . . 0.0 109.385 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -61.22 -45.6 93.9 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.215 -0.928 . . . . 0.0 109.412 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -56.06 -59.17 5.29 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.204 -0.935 . . . . 0.0 109.449 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.629 HG13 ' CZ ' ' A' ' 115' ' ' TYR . 97.9 t -50.27 -53.44 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.195 -0.941 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 101' ' ' VAL . 23.8 tt0 -41.58 -43.71 2.81 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.259 -0.901 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -66.88 -58.43 5.02 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.294 -0.879 . . . . 0.0 109.396 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 32.2 mt -50.56 -18.67 0.72 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.283 -0.885 . . . . 0.0 109.077 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 101' ' ' VAL . 95.8 t -84.97 -69.21 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.388 -0.82 . . . . 0.0 109.229 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -47.47 -34.45 7.37 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.19 -0.944 . . . . 0.0 108.976 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.04 -51.76 23.47 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.416 -0.802 . . . . 0.0 109.186 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.417 ' HB1' HG13 ' A' ' 113' ' ' ILE . . . -53.78 -54.38 39.01 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.281 -0.887 . . . . 0.0 109.13 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -58.76 -29.95 67.17 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.357 -0.839 . . . . 0.0 109.357 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.72 -29.6 70.16 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.304 -0.872 . . . . 0.0 109.375 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.593 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 58.9 m-85 -100.63 -77.42 0.54 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.25 -0.906 . . . . 0.0 109.392 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.593 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 1.3 m-20 158.99 36.19 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.252 -0.905 . . . . 0.0 109.735 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.846 HG22 ' HB2' ' A' ' 47' ' ' ALA . 6.0 pt -114.64 156.15 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.077 -1.015 . . . . 0.0 109.449 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.458 HG23 ' CE2' ' A' ' 46' ' ' PHE . 1.0 OUTLIER -97.95 106.62 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.298 -0.876 . . . . 0.0 109.768 -179.581 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 115' ' ' TYR . . . . . 0.629 ' CZ ' HG13 ' A' ' 101' ' ' VAL . 2.5 t80 -85.29 109.19 18.19 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.187 -0.945 . . . . 0.0 109.228 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.482 ' OD1' ' C ' ' A' ' 116' ' ' ASP . 36.6 t0 -164.57 85.1 0.42 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.188 -0.945 . . . . 0.0 109.467 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 160.75 72.69 0.02 OUTLIER Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 7.1 p-90 -118.04 143.76 46.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.241 -1.152 . . . . 0.0 109.395 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -169.48 174.63 43.83 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.1 t -144.29 171.09 14.79 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.179 -1.189 . . . . 0.0 109.474 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 13.7 p90 . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.316 -0.865 . . . . 0.0 109.398 179.771 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.455 ' O ' ' C ' ' A' ' 2' ' ' SER . 34.4 mtt . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.466 ' O ' ' OG ' ' A' ' 2' ' ' SER . 26.8 p 42.18 85.02 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.16 -0.963 . . . . 0.0 109.411 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.601 ' ND1' ' N ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -80.11 43.8 0.64 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.306 -0.871 . . . . 0.0 109.509 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -91.27 68.52 5.94 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.201 -0.937 . . . . 0.0 109.427 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -153.62 67.61 0.76 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.202 -0.937 . . . . 0.0 109.463 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.35 78.8 1.7 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.208 -0.932 . . . . 0.0 109.471 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.482 ' CD1' ' N ' ' A' ' 7' ' ' TYR . 0.5 OUTLIER -89.34 95.87 10.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.252 -0.905 . . . . 0.0 109.56 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.439 ' O ' ' OG ' ' A' ' 9' ' ' SER . 8.3 tp -143.45 72.49 1.36 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.179 -0.951 . . . . 0.0 109.404 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.543 ' O ' ' C ' ' A' ' 10' ' ' VAL . 46.2 m -170.18 60.14 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.259 -0.9 . . . . 0.0 109.356 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.543 ' C ' ' O ' ' A' ' 9' ' ' SER . 20.3 m -34.63 -36.94 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.42 -0.8 . . . . 0.0 109.6 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 9' ' ' SER . 12.8 mt-10 -47.93 -37.09 13.59 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.242 -0.911 . . . . 0.0 109.476 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 9' ' ' SER . 3.3 mm-40 -73.69 -56.15 5.37 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.262 -0.899 . . . . 0.0 109.48 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.472 ' N ' HD23 ' A' ' 13' ' ' LEU . 4.1 mt -51.14 -43.6 61.23 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.217 -0.927 . . . . 0.0 109.43 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.2 mt -58.38 -47.03 89.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.285 -0.884 . . . . 0.0 109.38 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.74 -59.43 5.03 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.287 -0.883 . . . . 0.0 109.355 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.517 ' O ' ' C ' ' A' ' 17' ' ' GLN . 67.6 mt -45.92 -75.53 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.276 -0.89 . . . . 0.0 109.548 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.525 ' O ' ' OG1' ' A' ' 21' ' ' THR . 1.3 tp60 -35.93 -35.41 0.07 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.31 -0.869 . . . . 0.0 109.542 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 16' ' ' ILE . 1.0 OUTLIER -57.18 -58.68 7.16 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.172 -0.955 . . . . 0.0 109.563 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 20' ' ' GLU . 9.9 tt0 -65.32 -62.84 1.3 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.27 -0.894 . . . . 0.0 109.509 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.483 ' O ' ' C ' ' A' ' 21' ' ' THR . 12.1 mt-10 -40.05 -67.39 0.23 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.243 -0.911 . . . . 0.0 109.638 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.525 ' OG1' ' O ' ' A' ' 17' ' ' GLN . 10.0 m -38.31 -61.13 0.71 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.186 -0.946 . . . . 0.0 109.536 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' THR . 10.3 mmm180 -44.2 -52.89 7.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.249 -0.907 . . . . 0.0 109.42 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -49.73 -51.49 38.47 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.232 -0.918 . . . . 0.0 109.46 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.461 HD12 ' HZ2' ' A' ' 118' ' ' TRP . 3.6 mt -57.81 -57.25 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.282 -0.886 . . . . 0.0 109.446 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.43 ' N ' HD13 ' A' ' 25' ' ' ILE . 8.1 mm -46.94 -40.22 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.265 -0.897 . . . . 0.0 109.37 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -57.62 -52.42 65.51 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.286 -0.883 . . . . 0.0 109.381 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.92 -55.07 37.37 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.237 -0.914 . . . . 0.0 109.352 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.48 -48.18 38.06 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.236 -0.915 . . . . 0.0 109.25 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.65 ' O ' ' N ' ' A' ' 32' ' ' GLY . 5.4 mt -62.39 -66.67 0.51 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.319 -0.863 . . . . 0.0 109.286 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.538 ' C ' ' O ' ' A' ' 29' ' ' LEU . 3.6 tt0 -36.19 -36.96 0.1 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.248 -0.908 . . . . 0.0 109.297 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' LEU . 10.0 t70 -58.42 -31.32 67.62 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.234 -0.916 . . . . 0.0 109.266 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.65 ' N ' ' O ' ' A' ' 29' ' ' LEU . . . 121.75 2.43 10.46 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.3 m -51.18 169.99 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.235 -1.156 . . . . 0.0 109.518 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -132.68 147.15 64.4 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.146 -0.971 . . . . 0.0 109.531 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -70.92 -15.88 32.71 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.714 2.276 . . . . 0.0 112.223 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.64 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -94.82 -7.01 41.56 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.234 -0.916 . . . . 0.0 109.362 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.563 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -69.9 -9.01 53.41 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.313 -0.867 . . . . 0.0 109.53 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.563 ' O ' ' O ' ' A' ' 37' ' ' ALA . 5.0 mt 56.75 125.33 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.256 -0.902 . . . . 0.0 109.266 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -117.79 147.92 42.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.244 -0.91 . . . . 0.0 109.827 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -98.95 109.32 22.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.338 -0.851 . . . . 0.0 109.128 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.462 HD13 ' N ' ' A' ' 41' ' ' ILE . 4.1 mm -76.45 145.81 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.213 -0.929 . . . . 0.0 109.679 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -126.28 139.23 53.48 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.339 -0.851 . . . . 0.0 109.45 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -135.24 132.66 38.12 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.261 -0.899 . . . . 0.0 109.411 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -101.35 131.3 47.48 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.155 -0.966 . . . . 0.0 109.57 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 mp -137.41 132.73 33.89 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.229 -0.919 . . . . 0.0 109.183 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.698 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -127.36 160.07 32.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.142 -0.974 . . . . 0.0 109.891 -179.776 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.503 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -139.83 177.22 8.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.408 -0.807 . . . . 0.0 109.589 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -113.61 -14.43 12.64 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.246 -0.909 . . . . 0.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.74 119.64 40.01 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.224 -0.922 . . . . 0.0 109.325 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -52.57 -41.77 63.88 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.209 -0.932 . . . . 0.0 109.446 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.452 ' OD1' ' C ' ' A' ' 51' ' ' ASP . 27.8 t0 -71.12 -60.78 2.05 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.276 -0.89 . . . . 0.0 109.494 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.95 -32.76 2.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.179 -0.95 . . . . 0.0 109.094 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.503 HD12 ' HB3' ' A' ' 47' ' ' ALA . 6.1 tt -63.98 -67.33 0.44 Allowed 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.469 -0.769 . . . . 0.0 109.382 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -51.37 -23.04 3.35 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.238 -0.914 . . . . 0.0 109.26 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.0 -60.06 2.44 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.301 -0.874 . . . . 0.0 109.341 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.08 -32.91 74.64 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.265 -0.897 . . . . 0.0 109.463 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.45 -33.92 76.12 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.316 -0.865 . . . . 0.0 109.459 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -68.66 -52.86 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.215 -0.928 . . . . 0.0 109.271 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -52.62 -56.08 17.92 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.161 -0.962 . . . . 0.0 109.322 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.03 -59.13 3.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.232 -0.917 . . . . 0.0 109.474 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.65 -26.3 55.82 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.269 -0.894 . . . . 0.0 109.626 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -67.46 -40.11 85.35 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.221 -0.924 . . . . 0.0 109.386 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 9.3 mtm -66.27 -56.18 12.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.227 -0.921 . . . . 0.0 109.405 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 158.32 49.36 0.01 OUTLIER Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.497 ' CZ ' ' SD ' ' A' ' 88' ' ' MET . 40.0 m-85 -123.96 132.36 53.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.201 -1.176 . . . . 0.0 109.523 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -72.39 78.22 1.02 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.22 -0.925 . . . . 0.0 109.481 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.7 p -57.61 140.07 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.262 -0.899 . . . . 0.0 109.485 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.629 ' N ' ' O ' ' A' ' 85' ' ' ASP . 1.8 tp -115.27 141.19 48.36 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.264 -0.898 . . . . 0.0 109.552 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -52.63 150.69 4.88 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.245 -0.91 . . . . 0.0 109.472 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.408 ' HB1' ' N ' ' A' ' 83' ' ' CYS . . . -96.5 179.92 4.84 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.31 -0.869 . . . . 0.0 109.599 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.538 ' O ' ' C ' ' A' ' 72' ' ' GLU . 8.2 tt0 -158.43 146.66 18.51 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.338 -0.851 . . . . 0.0 109.268 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.614 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -35.41 117.95 0.44 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.256 -0.903 . . . . 0.0 109.421 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.34 170.9 8.34 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.258 -0.901 . . . . 0.0 109.77 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.494 ' O ' ' OE1' ' A' ' 74' ' ' GLU . 0.9 OUTLIER -140.12 122.62 16.16 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.343 -0.848 . . . . 0.0 109.23 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.669 ' O ' ' N ' ' A' ' 77' ' ' ASP . 0.8 OUTLIER -120.25 52.23 1.16 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.162 -0.961 . . . . 0.0 109.596 -179.858 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.517 ' C ' ' O ' ' A' ' 75' ' ' ASP . 2.7 mp0 37.89 22.46 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 0.0 109.394 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.669 ' N ' ' O ' ' A' ' 75' ' ' ASP . 9.4 t70 -154.46 -9.63 0.14 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.305 -0.872 . . . . 0.0 109.583 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.531 ' C ' ' H ' ' A' ' 80' ' ' LYS . . . -126.43 -43.8 0.26 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 65.86 -9.54 0.27 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.199 -1.177 . . . . 0.0 109.367 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.531 ' H ' ' C ' ' A' ' 78' ' ' GLY . 0.2 OUTLIER -165.64 76.12 0.24 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.335 -0.853 . . . . 0.0 109.399 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.81 163.97 21.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.246 -0.908 . . . . 0.0 109.65 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 82' ' ' LEU . 7.5 mp -95.15 132.0 40.56 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.352 -0.843 . . . . 0.0 109.532 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.408 ' N ' ' HB1' ' A' ' 70' ' ' ALA . 37.0 t -134.06 108.32 8.27 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.245 -0.909 . . . . 0.0 110.084 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.63 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.7 OUTLIER -98.64 166.46 11.32 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.217 -0.927 . . . . 0.0 109.009 179.375 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.629 ' O ' ' N ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -125.57 153.89 43.01 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.153 -0.967 . . . . 0.0 109.924 -179.495 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -127.58 141.2 51.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.403 -0.811 . . . . 0.0 109.299 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.38 160.34 28.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.247 -0.908 . . . . 0.0 109.494 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.505 ' SD ' ' NE2' ' A' ' 100' ' ' GLN . 8.1 ttt -158.48 119.57 3.41 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.318 -0.864 . . . . 0.0 109.517 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -74.02 129.02 37.04 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.259 -0.901 . . . . 0.0 109.348 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.6 p -166.59 156.48 11.62 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.254 -0.904 . . . . 0.0 109.709 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.76 174.78 0.74 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.304 -0.872 . . . . 0.0 109.409 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.405 HD21 HG23 ' A' ' 25' ' ' ILE . 3.0 tp -92.88 100.29 12.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.291 -0.88 . . . . 0.0 109.298 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -145.49 137.47 25.48 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.184 -0.948 . . . . 0.0 109.528 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.454 ' O ' ' CG ' ' A' ' 98' ' ' ASP . . . -68.44 -39.0 81.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.213 -0.929 . . . . 0.0 109.294 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -61.36 -47.69 84.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.232 -0.917 . . . . 0.0 109.232 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 99' ' ' GLU . 5.0 tt -64.03 -61.69 2.11 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.289 -0.882 . . . . 0.0 109.218 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.438 ' O ' HG23 ' A' ' 101' ' ' VAL . 38.6 mt -46.03 -40.98 3.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.265 -0.897 . . . . 0.0 109.197 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.454 ' CG ' ' O ' ' A' ' 94' ' ' ALA . 45.0 m-20 -62.36 -34.74 77.27 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.294 -0.879 . . . . 0.0 109.234 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 96' ' ' LEU . 3.6 mm-40 -66.9 -52.98 36.68 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.293 -0.88 . . . . 0.0 109.519 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.505 ' NE2' ' SD ' ' A' ' 88' ' ' MET . 91.2 mt-30 -50.32 -36.3 31.32 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.156 -0.965 . . . . 0.0 109.292 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.54 HG13 ' CZ ' ' A' ' 115' ' ' TYR . 55.6 t -72.7 -33.2 43.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.29 -0.881 . . . . 0.0 109.472 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.457 ' O ' ' OD1' ' A' ' 106' ' ' ASN . 0.7 OUTLIER -68.93 -41.91 77.48 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.246 -0.909 . . . . 0.0 109.521 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.8 mttp -70.91 -47.84 56.92 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.149 -0.969 . . . . 0.0 109.627 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.438 ' HA ' HD23 ' A' ' 104' ' ' LEU . 48.4 mt -63.81 -34.34 77.69 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.211 -0.931 . . . . 0.0 109.568 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.415 HG22 ' CD2' ' A' ' 115' ' ' TYR . 4.9 t -70.58 -56.78 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.166 -0.959 . . . . 0.0 109.544 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.457 ' OD1' ' O ' ' A' ' 102' ' ' GLU . 2.0 m120 -55.04 -42.84 73.16 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.19 -0.943 . . . . 0.0 109.42 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.1 tt -66.76 -40.95 88.43 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.255 -0.903 . . . . 0.0 109.398 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.64 -54.96 41.19 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.251 -0.906 . . . . 0.0 109.578 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -65.78 -21.48 66.5 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.294 -0.879 . . . . 0.0 109.457 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -72.86 -27.43 61.91 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.27 -0.894 . . . . 0.0 109.627 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.508 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 8.3 m-85 -98.46 -76.97 0.52 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.217 -0.927 . . . . 0.0 109.651 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.508 ' OD1' ' O ' ' A' ' 111' ' ' PHE . 0.4 OUTLIER 166.08 33.43 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.105 -0.997 . . . . 0.0 109.634 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.5 pt -116.88 178.05 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.219 -0.926 . . . . 0.0 109.538 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.49 HD12 ' N ' ' A' ' 115' ' ' TYR . 0.2 OUTLIER -124.47 110.05 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.224 -0.922 . . . . 0.0 109.478 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.54 ' CZ ' HG13 ' A' ' 101' ' ' VAL . 1.1 t80 -89.98 117.12 28.54 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.246 -0.909 . . . . 0.0 109.257 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -158.86 73.62 0.62 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.178 -0.951 . . . . 0.0 109.661 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 171.58 95.49 0.1 OUTLIER Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.641 -1.383 . . . . 0.0 109.641 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.461 ' HZ2' HD12 ' A' ' 24' ' ' ILE . 1.2 p-90 -124.37 133.68 53.36 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.173 -1.192 . . . . 0.0 109.294 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -144.65 157.78 27.35 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.2 t -128.64 128.13 43.56 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.199 -1.177 . . . . 0.0 109.543 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.47 169.05 5.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.242 -0.911 . . . . 0.0 109.472 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.519 ' CD1' ' C ' ' A' ' 122' ' ' TYR . 0.8 OUTLIER -133.5 93.75 3.19 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.261 -0.899 . . . . 0.0 109.28 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -74.03 140.74 45.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.299 -0.876 . . . . 0.0 109.622 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 115.53 64.71 0.39 Allowed Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.4 mp -96.03 133.78 39.85 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.172 -1.193 . . . . 0.0 109.445 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -84.67 -99.35 0.06 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.263 -0.898 . . . . 0.0 109.581 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -132.09 152.96 50.92 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.263 -0.898 . . . . 0.0 109.595 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.487 ' O ' ' O ' ' A' ' 129' ' ' HIS . 26.6 t-80 -112.89 -124.17 0.28 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.312 -0.868 . . . . 0.0 109.145 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.579 ' ND1' ' N ' ' A' ' 129' ' ' HIS . 0.0 OUTLIER -53.26 -170.22 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.084 -1.01 . . . . 0.0 109.192 179.808 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.53 ' O ' ' O ' ' A' ' 129' ' ' HIS . 23.5 t-160 53.79 110.4 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.159 -0.963 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 64.09 98.86 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.213 -0.93 . . . . 0.0 109.353 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 117.932 -1.033 . . . . 0.0 109.495 -179.911 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ptp . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 m -113.02 5.79 17.37 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.264 -0.897 . . . . 0.0 109.498 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -124.74 78.63 1.7 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.3 -0.875 . . . . 0.0 109.497 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -161.05 0.17 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.214 -0.929 . . . . 0.0 109.503 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -144.22 89.65 2.04 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.33 -0.857 . . . . 0.0 109.47 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -110.25 74.14 0.87 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.262 -0.899 . . . . 0.0 109.497 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -46.43 138.8 5.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.267 -0.896 . . . . 0.0 109.406 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.959 ' H ' HD23 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -60.31 146.96 42.13 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.205 -0.934 . . . . 0.0 109.647 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 11' ' ' GLU . 4.7 m -146.27 71.19 1.24 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.258 -0.901 . . . . 0.0 109.15 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.47 ' HA ' HD12 ' A' ' 13' ' ' LEU . 13.1 m -46.85 -20.12 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.336 -0.853 . . . . 0.0 109.826 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 9' ' ' SER . 60.9 tt0 -61.07 -39.83 91.36 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.105 -0.997 . . . . 0.0 109.464 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -70.0 -40.42 75.28 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.294 -0.879 . . . . 0.0 109.532 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 10' ' ' VAL . 13.9 mt -67.18 -43.22 82.73 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.253 -0.905 . . . . 0.0 109.71 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 15' ' ' GLU . 8.0 mt -62.76 -59.07 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.268 -0.895 . . . . 0.0 109.721 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 14' ' ' ILE . 4.1 tt0 -42.96 -57.96 2.62 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.253 -0.904 . . . . 0.0 109.611 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.8 mt -48.49 -47.03 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.191 -0.943 . . . . 0.0 109.593 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.512 ' O ' ' C ' ' A' ' 18' ' ' LYS . 3.3 mm100 -53.91 -65.74 0.52 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.208 -0.933 . . . . 0.0 109.532 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.512 ' C ' ' O ' ' A' ' 17' ' ' GLN . 31.3 mttt -35.16 -42.95 0.2 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.292 -0.88 . . . . 0.0 109.662 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.526 ' O ' ' C ' ' A' ' 20' ' ' GLU . 1.9 tt0 -72.54 -66.62 0.64 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.225 -0.922 . . . . 0.0 109.727 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.526 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -35.09 -46.8 0.35 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.254 -0.904 . . . . 0.0 109.608 -179.778 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.465 ' O ' ' C ' ' A' ' 22' ' ' ARG . 48.9 m -60.53 -58.92 6.44 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.236 -0.915 . . . . 0.0 109.235 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.736 ' CG ' HH11 ' A' ' 22' ' ' ARG . 0.0 OUTLIER -39.38 -52.22 2.06 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.253 -0.904 . . . . 0.0 109.506 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -57.23 -40.75 78.18 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.323 -0.861 . . . . 0.0 109.704 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 26' ' ' GLN . 68.1 mt -70.21 -66.69 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.242 -0.911 . . . . 0.0 109.669 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 24' ' ' ILE . 1.2 mp -45.16 -22.95 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.112 -0.992 . . . . 0.0 109.264 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' ILE . 5.0 mm-40 -71.75 -56.51 5.64 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.25 -0.906 . . . . 0.0 109.479 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.0 -41.1 77.83 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.245 -0.909 . . . . 0.0 109.615 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.5 mt -60.24 -49.34 77.99 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.222 -0.924 . . . . 0.0 109.447 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 29' ' ' LEU . 2.2 mm? -60.64 -37.99 83.35 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.226 -0.921 . . . . 0.0 109.39 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -60.52 -31.84 70.9 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.241 -0.912 . . . . 0.0 109.269 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -76.6 -37.64 56.12 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.259 -0.9 . . . . 0.0 109.482 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.56 ' O ' ' O ' ' A' ' 33' ' ' SER . . . 126.41 17.5 2.39 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.56 ' O ' ' O ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -34.51 156.73 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.22 -1.165 . . . . 0.0 109.596 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -125.37 86.69 56.74 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.183 -0.948 . . . . 0.0 109.593 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -52.67 -27.1 32.07 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.85 2.367 . . . . 0.0 112.286 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -65.37 -22.46 66.8 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.227 -0.92 . . . . 0.0 109.511 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.556 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -88.07 18.2 4.45 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.223 -0.923 . . . . 0.0 109.616 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.556 ' O ' ' O ' ' A' ' 37' ' ' ALA . 0.6 OUTLIER 56.25 150.85 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.135 -0.978 . . . . 0.0 109.473 179.846 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -128.37 152.69 47.88 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.331 -0.856 . . . . 0.0 109.326 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.437 ' O ' HD13 ' A' ' 41' ' ' ILE . 1.2 pm0 -107.59 146.72 31.55 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.225 -0.922 . . . . 0.0 109.603 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.437 HD13 ' O ' ' A' ' 40' ' ' GLU . 2.0 mm -122.43 145.38 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.309 -0.869 . . . . 0.0 109.203 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -120.3 111.3 17.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.169 -0.957 . . . . 0.0 109.606 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -100.21 142.33 31.84 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.204 -0.935 . . . . 0.0 109.461 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -121.45 124.59 44.83 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.258 -0.901 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 2.7 mp -131.01 148.12 52.71 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.224 -0.922 . . . . 0.0 109.484 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -132.9 155.83 48.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.24 -0.913 . . . . 0.0 109.745 -179.839 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.04 179.3 5.96 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.329 -0.857 . . . . 0.0 109.483 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -116.9 -21.09 9.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.263 -0.898 . . . . 0.0 109.276 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.643 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.4 t0 -127.01 109.89 12.38 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.352 -0.842 . . . . 0.0 109.228 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' A' ' 49' ' ' ASP . 17.9 t80 -41.15 -17.65 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.24 -0.913 . . . . 0.0 109.748 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.643 ' N ' ' O ' ' A' ' 49' ' ' ASP . 5.9 t70 -65.81 -77.5 0.06 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.169 -0.957 . . . . 0.0 109.636 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.531 ' HE2' ' H ' ' A' ' 49' ' ' ASP . 32.3 pttt -53.18 -32.61 48.79 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.195 -0.94 . . . . 0.0 109.393 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.68 ' C ' HD23 ' A' ' 53' ' ' LEU . 6.1 tt -51.48 -55.89 16.36 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.391 -0.818 . . . . 0.0 109.667 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.633 ' O ' HG23 ' A' ' 58' ' ' VAL . 18.2 tt0 -63.88 -53.03 56.87 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.211 -0.931 . . . . 0.0 109.547 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.42 ' HB3' ' CE1' ' A' ' 111' ' ' PHE . 7.6 mtpp -44.48 -47.85 10.03 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.206 -0.934 . . . . 0.0 109.705 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.515 ' O ' ' C ' ' A' ' 57' ' ' ALA . . . -72.0 -61.07 1.92 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.153 -0.967 . . . . 0.0 109.607 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 56' ' ' ALA . . . -35.59 -52.35 0.67 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.36 -0.837 . . . . 0.0 109.571 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 54' ' ' GLU . 14.6 t -59.01 -54.15 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.268 -0.895 . . . . 0.0 109.455 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -49.09 -41.29 35.05 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.239 -0.913 . . . . 0.0 109.351 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.3 -35.64 76.2 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.244 -0.91 . . . . 0.0 109.234 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -61.79 -52.29 64.81 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.287 -0.883 . . . . 0.0 109.298 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -55.59 -39.18 70.38 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.24 -0.912 . . . . 0.0 109.236 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 31.2 ttm -51.96 -57.63 8.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.265 -0.897 . . . . 0.0 109.385 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.656 ' O ' ' SD ' ' A' ' 88' ' ' MET . . . 149.6 31.9 0.05 OUTLIER Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.691 ' CD1' ' SD ' ' A' ' 88' ' ' MET . 10.2 m-85 -117.38 137.78 52.24 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.214 -1.168 . . . . 0.0 109.466 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.447 ' OE1' ' O ' ' A' ' 67' ' ' VAL . 1.3 tm-20 -82.08 84.01 7.14 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.178 -0.951 . . . . 0.0 109.362 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.55 HG22 ' N ' ' A' ' 68' ' ' LEU . 14.7 p -54.67 164.81 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.238 -0.914 . . . . 0.0 109.528 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.605 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -144.19 132.59 22.03 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.299 -0.875 . . . . 0.0 109.363 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.569 ' O ' ' O ' ' A' ' 68' ' ' LEU . 4.6 pt-20 -39.02 165.33 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.297 -0.877 . . . . 0.0 109.767 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.509 ' HB1' ' N ' ' A' ' 83' ' ' CYS . . . -116.71 158.94 23.01 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.362 -0.836 . . . . 0.0 109.426 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.472 ' N ' ' CD ' ' A' ' 71' ' ' GLU . 1.9 pm0 -118.22 147.43 43.41 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.284 -0.885 . . . . 0.0 109.455 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -64.38 114.69 4.46 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.2 -0.937 . . . . 0.0 109.629 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.498 ' OG1' ' N ' ' A' ' 74' ' ' GLU . 4.8 t -117.67 -139.69 0.36 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.23 -0.919 . . . . 0.0 109.377 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.498 ' N ' ' OG1' ' A' ' 73' ' ' THR . 6.3 pt-20 178.78 128.56 0.07 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.253 -0.904 . . . . 0.0 109.554 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.499 ' C ' ' H ' ' A' ' 77' ' ' ASP . 0.4 OUTLIER -63.23 -178.03 0.22 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.215 -0.928 . . . . 0.0 109.426 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.483 ' C ' ' OD1' ' A' ' 77' ' ' ASP . 56.0 mm-40 -73.44 29.91 0.07 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.214 -0.928 . . . . 0.0 109.465 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.499 ' H ' ' C ' ' A' ' 75' ' ' ASP . 0.9 OUTLIER -145.48 -35.26 0.31 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.283 -0.886 . . . . 0.0 109.497 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 112.4 65.77 0.49 Allowed Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.589 -1.405 . . . . 0.0 109.589 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -108.57 -10.8 15.2 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.258 -1.142 . . . . 0.0 109.434 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.2 mttt 54.06 100.44 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.331 -0.856 . . . . 0.0 109.745 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.94 153.96 45.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.258 -0.901 . . . . 0.0 109.457 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.65 136.39 33.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.251 -0.906 . . . . 0.0 109.669 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.509 ' N ' ' HB1' ' A' ' 70' ' ' ALA . 17.7 p -128.21 107.88 10.15 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.327 -0.858 . . . . 0.0 109.625 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 2.2 p90 -94.0 165.52 12.61 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.221 -0.924 . . . . 0.0 109.426 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.605 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -121.74 156.96 32.01 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.218 -0.926 . . . . 0.0 109.795 -179.726 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -142.14 137.47 30.93 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.373 -0.83 . . . . 0.0 109.276 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -109.82 157.77 18.84 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.145 -0.972 . . . . 0.0 109.639 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.691 ' SD ' ' CD1' ' A' ' 65' ' ' PHE . 8.5 tpt -155.68 115.72 3.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.229 -0.919 . . . . 0.0 109.481 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -77.99 137.18 38.16 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.231 -0.918 . . . . 0.0 109.452 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.23 156.18 6.87 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.248 -0.908 . . . . 0.0 109.541 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.52 170.73 2.3 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.271 -0.893 . . . . 0.0 109.571 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 59.9 tp -92.33 92.18 8.03 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.298 -0.876 . . . . 0.0 109.538 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -153.26 126.28 8.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.329 -0.857 . . . . 0.0 109.374 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.53 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -49.21 -62.04 1.75 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.259 -0.901 . . . . 0.0 109.644 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.53 ' C ' ' O ' ' A' ' 94' ' ' ALA . 4.9 mtpt -34.95 -47.82 0.37 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.247 -0.908 . . . . 0.0 109.662 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 98' ' ' ASP . 8.4 mp -63.35 -69.89 0.24 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.193 -0.942 . . . . 0.0 109.586 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 96' ' ' LEU . 31.4 mt -41.75 -22.77 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.239 -0.913 . . . . 0.0 109.242 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -75.29 -45.69 38.21 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.419 -0.8 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 96' ' ' LEU . 1.0 OUTLIER -65.21 -45.2 85.72 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.335 -0.853 . . . . 0.0 109.437 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -60.14 -61.36 2.66 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.29 -0.881 . . . . 0.0 109.526 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.6 HG13 ' CZ ' ' A' ' 115' ' ' TYR . 89.0 t -55.12 -47.38 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.211 -0.931 . . . . 0.0 109.549 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.416 ' C ' ' OE1' ' A' ' 102' ' ' GLU . 0.2 OUTLIER -50.04 -35.07 23.56 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.144 -0.973 . . . . 0.0 109.132 179.798 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -56.3 7.82 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.288 -0.883 . . . . 0.0 109.067 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 97.7 mt -55.21 -22.74 18.92 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.371 -0.83 . . . . 0.0 109.414 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.5 t -73.97 -52.6 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.271 -0.893 . . . . 0.0 109.528 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -63.0 -39.98 96.39 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.234 -0.916 . . . . 0.0 109.594 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 108' ' ' ALA . 14.9 tp -65.95 -55.78 15.08 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.245 -0.909 . . . . 0.0 109.52 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.429 ' HB1' HG13 ' A' ' 113' ' ' ILE . . . -44.11 -54.97 5.09 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.233 -0.917 . . . . 0.0 109.716 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -67.48 -28.57 67.96 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.274 -0.891 . . . . 0.0 109.756 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -57.96 -32.71 68.11 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.202 -0.936 . . . . 0.0 109.473 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 15.2 m-85 -101.1 -74.89 0.6 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -0.907 . . . . 0.0 109.477 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.6 OUTLIER 166.9 32.72 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.195 -0.941 . . . . 0.0 109.683 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.429 HG13 ' HB1' ' A' ' 108' ' ' ALA . 32.2 pt -116.99 166.22 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.187 -0.945 . . . . 0.0 109.397 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -112.75 136.77 47.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.22 -0.925 . . . . 0.0 109.793 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.6 ' CZ ' HG13 ' A' ' 101' ' ' VAL . 0.6 OUTLIER -103.42 108.59 19.9 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.294 -0.879 . . . . 0.0 108.797 179.352 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 116' ' ' ASP . 2.2 t0 -150.0 82.53 1.38 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.13 -0.982 . . . . 0.0 109.692 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 161.14 87.97 0.07 OUTLIER Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 2.4 p-90 -128.59 138.02 52.0 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.231 -1.158 . . . . 0.0 109.14 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -153.65 165.42 31.5 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.8 t -120.91 158.89 26.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.25 -1.147 . . . . 0.0 109.44 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.27 129.91 39.18 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.173 -0.954 . . . . 0.0 109.406 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -69.2 121.37 16.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.198 -0.939 . . . . 0.0 109.4 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -80.12 71.44 6.87 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.159 -0.963 . . . . 0.0 109.449 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 174.69 66.96 0.05 OUTLIER Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 22.6 mt -133.17 77.59 1.74 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.237 -1.155 . . . . 0.0 109.56 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -122.43 173.21 7.8 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.241 -0.912 . . . . 0.0 109.315 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.536 ' O ' ' O ' ' A' ' 128' ' ' HIS . 0.1 OUTLIER -67.04 89.2 0.17 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.148 -0.97 . . . . 0.0 109.536 -179.857 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.536 ' O ' ' O ' ' A' ' 127' ' ' HIS . 31.7 m-70 47.04 -179.45 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.239 -0.913 . . . . 0.0 109.606 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -83.77 -82.18 0.16 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.214 -0.929 . . . . 0.0 109.457 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -178.18 49.14 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.258 -0.901 . . . . 0.0 109.39 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -156.67 -45.6 0.07 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.386 -0.821 . . . . 0.0 109.332 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 118.023 -0.989 . . . . 0.0 109.553 179.888 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.9 mtp . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.2 m -116.55 76.49 1.03 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.252 -0.905 . . . . 0.0 109.498 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.479 ' ND1' ' N ' ' A' ' 3' ' ' HIS . 1.8 m80 -104.02 110.77 23.05 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.281 -0.887 . . . . 0.0 109.464 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 3' ' ' HIS . 52.2 tt0 -44.98 139.21 3.24 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.28 -0.887 . . . . 0.0 109.463 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -146.35 146.45 30.67 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.203 -0.935 . . . . 0.0 109.315 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -123.97 109.77 13.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.221 -0.924 . . . . 0.0 109.624 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -129.87 60.68 1.59 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.248 -0.907 . . . . 0.0 109.356 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 tt -118.59 108.19 14.65 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.16 -0.962 . . . . 0.0 109.382 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m -106.91 141.51 38.01 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.312 -0.867 . . . . 0.0 109.709 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 t -82.25 -20.27 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.248 -0.907 . . . . 0.0 109.43 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -82.1 -49.92 9.64 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.249 -0.907 . . . . 0.0 109.739 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.606 ' CG ' ' N ' ' A' ' 13' ' ' LEU . 6.3 pt-20 -53.24 -47.12 69.3 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.158 -0.964 . . . . 0.0 109.544 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.606 ' N ' ' CG ' ' A' ' 12' ' ' GLU . 84.7 mt -58.12 -44.55 87.8 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.225 -0.922 . . . . 0.0 109.522 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.0 mt -63.55 -38.83 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.262 -0.898 . . . . 0.0 109.568 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 18' ' ' LYS . 7.2 tm-20 -64.42 -67.09 0.46 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.327 -0.858 . . . . 0.0 109.548 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.469 ' C ' ' O ' ' A' ' 15' ' ' GLU . 11.3 mt -41.53 -66.94 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.275 -0.891 . . . . 0.0 109.329 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 16' ' ' ILE . 1.3 mt-30 -44.6 -31.51 1.16 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.203 -0.936 . . . . 0.0 109.131 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 4.3 ttmm -57.88 -53.79 54.2 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.261 -0.899 . . . . 0.0 109.055 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.523 ' O ' ' C ' ' A' ' 20' ' ' GLU . 12.2 mm-40 -73.45 -61.47 1.82 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.246 -0.909 . . . . 0.0 109.307 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.523 ' C ' ' O ' ' A' ' 19' ' ' GLU . 2.8 tt0 -36.88 -55.38 0.91 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.327 -0.858 . . . . 0.0 109.374 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.7 m -53.15 -59.86 4.01 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.234 -0.916 . . . . 0.0 109.319 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -44.98 -40.6 6.57 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.127 -0.983 . . . . 0.0 109.446 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -55.8 -49.0 74.41 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.278 -0.889 . . . . 0.0 109.741 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 26' ' ' GLN . 78.6 mt -64.93 -68.26 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.173 -0.954 . . . . 0.0 109.735 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.512 ' C ' ' O ' ' A' ' 24' ' ' ILE . 5.8 mm -36.96 -31.5 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.61 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.523 ' N ' ' O ' ' A' ' 24' ' ' ILE . 8.2 mm-40 -72.69 -45.43 58.89 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.215 -0.928 . . . . 0.0 109.733 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . -70.87 -33.9 71.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.197 -0.939 . . . . 0.0 109.684 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -56.02 8.08 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.272 -0.893 . . . . 0.0 109.488 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.05 -55.57 26.18 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.269 -0.895 . . . . 0.0 109.258 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -46.59 -43.83 17.6 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.175 -0.953 . . . . 0.0 109.077 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.25 -26.96 13.15 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.217 -0.927 . . . . 0.0 109.312 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 33' ' ' SER . . . 106.64 25.54 6.22 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.433 ' C ' ' OD1' ' A' ' 34' ' ' ASP . 2.0 p -53.13 -175.05 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.233 -1.157 . . . . 0.0 109.59 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.433 ' OD1' ' C ' ' A' ' 33' ' ' SER . 0.8 OUTLIER -136.31 91.61 16.44 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.29 -0.881 . . . . 0.0 109.391 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.41 ' C ' ' H ' ' A' ' 37' ' ' ALA . 19.5 Cg_exo -61.69 -30.7 85.66 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.776 2.318 . . . . 0.0 112.372 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.36 0.46 1.46 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.247 -0.908 . . . . 0.0 109.667 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.453 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -110.56 22.94 14.85 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.14 -0.975 . . . . 0.0 109.428 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.453 ' O ' ' O ' ' A' ' 37' ' ' ALA . 4.1 mm? 55.0 167.29 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.183 -0.948 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.573 ' CD2' HD13 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -140.56 151.64 44.88 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.272 -0.892 . . . . 0.0 109.638 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -104.91 124.04 48.79 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.291 -0.881 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.0 mm -98.0 139.89 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.197 -0.939 . . . . 0.0 109.325 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -116.83 113.61 22.75 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.348 -0.845 . . . . 0.0 109.444 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.411 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 98.4 m-70 -104.26 140.57 37.67 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.224 -0.922 . . . . 0.0 109.742 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.512 ' NE2' ' OD2' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -118.84 112.37 19.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.343 -0.848 . . . . 0.0 109.253 179.834 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 3.6 mp -123.9 146.39 48.46 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.236 -0.915 . . . . 0.0 109.598 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.646 ' CD1' ' N ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -132.26 167.35 19.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.267 -0.896 . . . . 0.0 109.777 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.66 ' HB2' HG22 ' A' ' 113' ' ' ILE . . . -154.11 172.32 17.72 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.35 -0.844 . . . . 0.0 109.442 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -109.55 -27.43 9.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.212 -0.93 . . . . 0.0 109.547 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.1 m-20 -106.48 100.95 10.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.192 -0.943 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -46.5 -15.76 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.205 -0.934 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.566 ' N ' ' CD1' ' A' ' 50' ' ' PHE . 1.7 m-20 -68.0 -63.15 1.12 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.291 -0.88 . . . . 0.0 109.021 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.443 ' HE2' ' H ' ' A' ' 49' ' ' ASP . 8.0 pttt -65.23 -29.29 70.07 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.31 -0.868 . . . . 0.0 109.144 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.527 HD21 ' CD1' ' A' ' 84' ' ' PHE . 5.3 tt -60.78 -51.08 70.87 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.279 -0.888 . . . . 0.0 109.144 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -61.43 -49.68 75.86 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.333 -0.854 . . . . 0.0 109.414 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -57.63 8.54 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.361 -0.837 . . . . 0.0 109.615 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.26 -49.78 71.17 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.243 -0.91 . . . . 0.0 109.482 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.485 ' HB1' HG21 ' A' ' 67' ' ' VAL . . . -52.06 -60.11 3.57 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.317 -0.864 . . . . 0.0 109.559 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 57' ' ' ALA . 80.1 t -42.89 -59.65 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.214 -0.929 . . . . 0.0 109.562 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.617 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 2.4 mp0 -49.58 -38.96 33.48 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.126 -0.984 . . . . 0.0 109.441 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.36 -33.54 74.46 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.284 -0.885 . . . . 0.0 109.731 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -69.92 -51.78 30.09 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.192 -0.943 . . . . 0.0 109.463 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.0 tttp -66.0 -41.91 90.45 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.31 -0.868 . . . . 0.0 109.546 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.0 ttp -51.61 -65.78 0.5 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.181 -0.949 . . . . 0.0 109.378 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 165.45 27.29 0.02 OUTLIER Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -115.67 135.33 54.16 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.172 -1.193 . . . . 0.0 109.462 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' VAL . 9.4 mt-10 -84.34 75.86 10.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.294 -0.879 . . . . 0.0 109.481 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.485 HG21 ' HB1' ' A' ' 57' ' ' ALA . 2.7 p -43.84 149.05 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.25 -0.906 . . . . 0.0 109.658 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 85' ' ' ASP . 3.1 tp -126.1 137.09 53.58 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.372 -0.83 . . . . 0.0 109.217 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 68' ' ' LEU . 19.6 pt-20 -40.89 158.47 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.18 -0.95 . . . . 0.0 109.618 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -110.85 173.31 6.39 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.271 -0.893 . . . . 0.0 110.038 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.468 ' HG3' ' SG ' ' A' ' 83' ' ' CYS . 1.9 pt-20 -136.43 154.44 50.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.416 -0.803 . . . . 0.0 109.061 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -71.82 127.49 32.74 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.122 -0.986 . . . . 0.0 109.586 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.625 ' OG1' ' N ' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -120.66 -172.81 2.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.255 -0.903 . . . . 0.0 109.653 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.625 ' N ' ' OG1' ' A' ' 73' ' ' THR . 8.9 pt-20 -169.69 139.8 2.06 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.355 -0.84 . . . . 0.0 109.278 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -116.7 -66.25 1.1 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.107 -0.996 . . . . 0.0 109.702 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -54.17 -49.88 68.29 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.361 -0.837 . . . . 0.0 110.004 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 171.35 -13.76 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.177 -0.952 . . . . 0.0 109.227 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -166.16 20.78 0.11 Allowed Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.34 88.02 0.45 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.07 -1.253 . . . . 0.0 109.102 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -59.59 96.31 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.31 -0.869 . . . . 0.0 109.683 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.495 ' HB2' HG23 ' A' ' 73' ' ' THR . 8.1 mt -114.66 163.43 15.45 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.279 -0.888 . . . . 0.0 109.356 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 82' ' ' LEU . 5.1 mp -115.5 137.17 52.33 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.259 -0.901 . . . . 0.0 109.095 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.468 ' SG ' ' HG3' ' A' ' 71' ' ' GLU . 4.7 p -132.5 105.15 7.07 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.134 -0.979 . . . . 0.0 110.156 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.527 ' CD1' HD21 ' A' ' 53' ' ' LEU . 15.8 p90 -95.87 158.72 15.32 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.234 -0.916 . . . . 0.0 108.907 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.512 ' OD2' ' NE2' ' A' ' 44' ' ' HIS . 0.4 OUTLIER -111.94 171.64 7.38 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.132 -0.98 . . . . 0.0 109.661 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.411 ' HB3' ' HB2' ' A' ' 43' ' ' HIS . . . -150.19 119.86 7.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.216 -0.928 . . . . 0.0 109.465 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.99 147.94 25.6 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.247 -0.908 . . . . 0.0 109.659 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 11.9 ttm -147.52 153.71 39.83 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.34 -0.85 . . . . 0.0 109.189 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -107.0 132.04 53.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.274 -0.891 . . . . 0.0 109.193 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 80.4 p -166.76 148.65 6.29 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.216 -0.927 . . . . 0.0 109.555 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.99 153.71 20.73 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.25 -0.906 . . . . 0.0 109.43 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.573 HD13 ' CD2' ' A' ' 39' ' ' TYR . 14.6 tp -78.15 89.12 4.24 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.223 -0.923 . . . . 0.0 109.383 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.12 118.65 10.36 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.201 -0.937 . . . . 0.0 109.495 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -48.5 -50.22 32.6 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.286 -0.884 . . . . 0.0 109.546 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -48.97 -44.55 40.98 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.24 -0.913 . . . . 0.0 109.538 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.13 -45.01 74.77 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.268 -0.895 . . . . 0.0 109.61 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.606 ' O ' HG23 ' A' ' 101' ' ' VAL . 29.4 mt -57.72 -29.6 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.183 -0.948 . . . . 0.0 109.604 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -72.76 -47.27 48.23 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.254 -0.904 . . . . 0.0 109.452 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.4 -45.4 93.32 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.246 -0.909 . . . . 0.0 109.516 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.09 -58.78 6.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.235 -0.915 . . . . 0.0 109.326 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 97' ' ' ILE . 96.4 t -51.23 -39.28 20.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.224 -0.922 . . . . 0.0 109.118 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -54.1 -44.28 71.11 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.252 -0.905 . . . . 0.0 109.334 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -64.72 -43.94 91.79 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.209 -0.932 . . . . 0.0 109.306 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 104' ' ' LEU . 57.3 mt -62.75 -28.36 69.92 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.137 -0.977 . . . . 0.0 109.329 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 6.8 t -74.6 -49.05 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.235 -0.916 . . . . 0.0 109.568 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -61.22 -52.41 64.89 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.266 -0.896 . . . . 0.0 109.671 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.487 ' O ' ' C ' ' A' ' 108' ' ' ALA . 1.1 tt -60.6 -57.99 10.38 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.17 -0.956 . . . . 0.0 109.661 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.487 ' C ' ' O ' ' A' ' 107' ' ' LEU . . . -38.74 -54.8 1.56 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.234 -0.916 . . . . 0.0 109.441 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -65.93 -33.02 74.88 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.339 -0.851 . . . . 0.0 109.537 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 107' ' ' LEU . 3.3 tptm -50.38 -36.73 33.88 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.294 -0.879 . . . . 0.0 109.459 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.473 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 65.8 m-85 -98.02 -77.26 0.51 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.233 -0.917 . . . . 0.0 109.694 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 1.1 m-20 167.22 31.21 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.231 -0.918 . . . . 0.0 109.587 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.66 HG22 ' HB2' ' A' ' 47' ' ' ALA . 22.5 pt -111.08 137.12 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.179 -0.951 . . . . 0.0 109.467 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.753 HD12 ' N ' ' A' ' 115' ' ' TYR . 0.1 OUTLIER -84.42 125.97 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.242 -0.911 . . . . 0.0 109.316 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.753 ' N ' HD12 ' A' ' 114' ' ' ILE . 8.6 t80 -95.03 111.73 23.51 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.194 -0.941 . . . . 0.0 109.635 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' A' ' 116' ' ' ASP . 4.2 t70 -156.46 84.15 0.98 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.218 -0.926 . . . . 0.0 109.443 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 159.65 92.29 0.09 OUTLIER Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.955 -1.258 . . . . 0.0 109.955 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.685 ' O ' ' CG ' ' A' ' 118' ' ' TRP . 3.1 p-90 -134.4 112.93 11.37 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.194 -1.18 . . . . 0.0 109.178 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -128.95 161.19 22.52 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.16 164.62 13.62 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.258 -1.142 . . . . 0.0 109.509 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.532 ' O ' ' C ' ' A' ' 122' ' ' TYR . 0.4 OUTLIER -137.87 124.8 21.29 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.347 -0.846 . . . . 0.0 109.243 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.532 ' C ' ' O ' ' A' ' 121' ' ' TYR . 11.3 m-85 -37.28 146.66 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.219 -0.926 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.62 ' CD ' ' H ' ' A' ' 123' ' ' GLU . 1.1 mp0 -85.99 63.35 7.98 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.261 -0.899 . . . . 0.0 109.508 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 141.89 149.4 5.19 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.65 -1.38 . . . . 0.0 109.65 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -145.12 89.6 1.97 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.292 -1.122 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.402 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 1.4 pt-20 -128.68 -179.68 5.2 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.31 -0.868 . . . . 0.0 109.391 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.659 ' ND1' ' O ' ' A' ' 127' ' ' HIS . 1.4 t-80 -119.06 42.77 2.74 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.252 -0.905 . . . . 0.0 109.423 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.81 139.0 27.47 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.198 -0.939 . . . . 0.0 109.422 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 22.3 p-80 -134.09 69.24 1.47 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.261 -0.9 . . . . 0.0 109.58 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.419 ' O ' ' CG ' ' A' ' 130' ' ' HIS . 22.8 t-160 -90.02 58.09 4.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.233 -0.917 . . . . 0.0 109.274 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.551 ' O ' ' O ' ' A' ' 132' ' ' HIS . 1.8 t60 -155.33 47.22 0.52 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.331 -0.856 . . . . 0.0 109.561 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.551 ' O ' ' O ' ' A' ' 131' ' ' HIS . 6.7 t-80 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 118.097 -0.954 . . . . 0.0 109.473 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 mpp? . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 p -70.09 -70.37 0.3 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.236 -0.915 . . . . 0.0 109.584 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.707 ' ND1' ' N ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -156.85 -173.71 4.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.304 -0.872 . . . . 0.0 109.542 -179.861 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.559 ' O ' ' OD1' ' A' ' 5' ' ' ASP . 11.3 mt-30 55.22 -88.35 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.292 -0.88 . . . . 0.0 109.47 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.559 ' OD1' ' O ' ' A' ' 4' ' ' GLN . 0.1 OUTLIER 169.39 -27.16 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.329 -0.857 . . . . 0.0 109.263 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.492 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 0.5 OUTLIER -52.22 116.8 2.4 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.282 -0.886 . . . . 0.0 109.373 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -95.53 118.08 31.58 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.134 -0.979 . . . . 0.0 109.46 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 mt -96.35 147.15 24.1 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.279 -0.888 . . . . 0.0 109.469 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.673 ' O ' ' N ' ' A' ' 11' ' ' GLU . 28.3 m -83.61 76.53 9.96 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.255 -0.903 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' A' ' 9' ' ' SER . 1.7 m -39.5 -18.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.266 -0.896 . . . . 0.0 109.526 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.673 ' N ' ' O ' ' A' ' 9' ' ' SER . 4.7 tt0 -76.07 -55.82 5.24 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.238 -0.914 . . . . 0.0 109.688 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.488 ' HG2' ' N ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -46.41 -44.44 17.18 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.167 -0.958 . . . . 0.0 109.349 -179.812 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.488 ' N ' ' HG2' ' A' ' 12' ' ' GLU . 62.4 mt -56.27 -41.22 75.49 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.257 -0.902 . . . . 0.0 109.303 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.1 mt -67.1 -42.89 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.3 -0.875 . . . . 0.0 109.306 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.57 -52.35 65.75 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.32 -0.862 . . . . 0.0 109.268 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.7 mt -56.92 -60.72 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.231 -0.918 . . . . 0.0 109.401 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -48.45 -36.12 14.29 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.283 -0.886 . . . . 0.0 109.444 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.531 ' NZ ' ' OD2' ' A' ' 98' ' ' ASP . 5.8 ttmm -57.84 -51.69 68.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.283 -0.885 . . . . 0.0 109.443 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.525 ' O ' ' C ' ' A' ' 20' ' ' GLU . 2.4 tp10 -63.78 -60.6 3.09 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.344 -0.848 . . . . 0.0 109.623 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.525 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -36.36 -70.89 0.08 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.248 -0.908 . . . . 0.0 109.694 -179.821 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' GLU . 42.4 m -42.74 -51.78 5.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.209 -0.932 . . . . 0.0 109.601 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.722 ' CG ' HH11 ' A' ' 22' ' ' ARG . 0.0 OUTLIER -47.19 -56.4 6.74 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.065 -1.022 . . . . 0.0 109.835 -179.674 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.514 ' OD1' ' C ' ' A' ' 23' ' ' ASP . 0.3 OUTLIER -53.76 -31.36 48.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.155 -0.966 . . . . 0.0 109.345 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' ILE . 43.1 mt -75.89 -71.22 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.32 -0.862 . . . . 0.0 109.256 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 24' ' ' ILE . 12.2 mm -42.12 -29.47 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.256 -0.902 . . . . 0.0 109.262 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.479 ' O ' ' OE1' ' A' ' 26' ' ' GLN . 2.9 tp-100 -73.61 -48.56 31.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.343 -0.848 . . . . 0.0 109.322 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.41 -29.44 69.6 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.204 -0.935 . . . . 0.0 109.32 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.431 ' HA ' HD23 ' A' ' 28' ' ' LEU . 70.7 mt -71.72 -61.53 1.75 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.265 -0.897 . . . . 0.0 109.276 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.14 -29.89 24.06 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.265 -0.897 . . . . 0.0 109.185 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -78.8 -34.24 45.56 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.294 -0.879 . . . . 0.0 109.362 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.56 -29.61 68.2 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.287 -0.883 . . . . 0.0 109.423 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.518 ' O ' ' O ' ' A' ' 33' ' ' SER . . . 132.46 5.46 3.28 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.518 ' O ' ' O ' ' A' ' 32' ' ' GLY . 0.4 OUTLIER -40.83 164.71 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.271 -1.135 . . . . 0.0 109.348 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -142.6 95.88 6.34 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.134 -0.979 . . . . 0.0 109.735 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -54.26 -14.67 6.92 Favored 'Trans proline' 0 C--N 1.309 -1.535 0 C-N-CA 122.564 2.176 . . . . 0.0 111.995 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.89 20.74 2.49 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.217 -0.927 . . . . 0.0 109.432 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -130.7 6.91 4.76 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.227 -0.921 . . . . 0.0 109.407 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 mt 60.57 157.46 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.209 -0.932 . . . . 0.0 109.714 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -137.62 162.56 33.47 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.208 -0.933 . . . . 0.0 109.403 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -112.95 111.24 21.85 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.23 -0.918 . . . . 0.0 109.46 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.9 mm -83.04 153.64 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.301 -0.874 . . . . 0.0 109.502 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.441 ' C ' ' CD ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -135.25 105.61 6.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.341 -0.849 . . . . 0.0 109.287 179.838 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -100.25 146.42 26.92 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.232 -0.918 . . . . 0.0 109.615 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -118.36 132.0 56.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.303 -0.873 . . . . 0.0 109.219 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 2.2 mp -133.23 149.51 51.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.097 -1.002 . . . . 0.0 109.795 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.591 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -135.58 158.96 43.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.262 -0.898 . . . . 0.0 109.61 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.718 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -151.87 -179.98 7.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.288 -0.883 . . . . 0.0 109.663 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -115.76 -36.61 4.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.286 -0.884 . . . . 0.0 109.384 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.422 ' H ' ' HE3' ' A' ' 52' ' ' LYS . 7.3 t0 -108.0 115.12 29.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.279 -0.888 . . . . 0.0 109.492 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -52.75 -12.04 0.27 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.219 -0.926 . . . . 0.0 109.496 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.419 ' N ' ' C ' ' A' ' 49' ' ' ASP . 23.6 t70 -67.19 -71.66 0.19 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.202 -0.936 . . . . 0.0 109.489 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.422 ' HE3' ' H ' ' A' ' 49' ' ' ASP . 6.2 pttt -57.56 -36.99 72.37 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.253 -0.905 . . . . 0.0 109.507 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.718 HD12 ' HB3' ' A' ' 47' ' ' ALA . 6.5 tt -58.26 -52.68 64.58 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.242 -0.911 . . . . 0.0 109.812 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.43 ' O ' HG23 ' A' ' 58' ' ' VAL . 24.2 tt0 -55.16 -56.62 17.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.27 -0.894 . . . . 0.0 109.879 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -50.06 -59.65 3.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.171 -0.956 . . . . 0.0 109.885 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.79 -36.31 58.0 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.343 -0.848 . . . . 0.0 109.948 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.17 -43.53 98.62 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.223 -0.923 . . . . 0.0 109.777 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 54' ' ' GLU . 14.9 t -62.17 -49.21 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.14 -0.975 . . . . 0.0 109.917 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.24 -33.44 65.41 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.183 -0.948 . . . . 0.0 109.796 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.54 -64.6 0.82 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.185 -0.947 . . . . 0.0 109.59 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -51.89 -39.31 58.83 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.165 -0.96 . . . . 0.0 109.547 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -53.8 -54.35 39.57 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.236 -0.915 . . . . 0.0 109.458 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 10.2 mtt -51.31 -44.25 61.88 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.261 -0.899 . . . . 0.0 109.484 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.52 28.77 0.09 OUTLIER Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.728 ' CZ ' ' SD ' ' A' ' 88' ' ' MET . 39.9 m-85 -102.75 169.3 8.7 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.225 -1.162 . . . . 0.0 109.424 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -118.65 84.78 2.24 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.271 -0.893 . . . . 0.0 109.321 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.16 141.93 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.314 -0.866 . . . . 0.0 109.585 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.677 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -119.79 149.09 42.62 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.273 -0.892 . . . . 0.0 109.35 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -48.89 156.87 0.45 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.221 -0.925 . . . . 0.0 109.564 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 83' ' ' CYS . . . -108.74 179.45 4.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.311 -0.868 . . . . 0.0 109.665 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -147.06 132.88 19.0 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.353 -0.842 . . . . 0.0 109.439 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.85 119.56 3.62 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.293 -0.88 . . . . 0.0 109.524 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.9 t -147.84 -170.02 3.47 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.24 -0.912 . . . . 0.0 109.549 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -151.05 152.66 33.77 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.388 -0.82 . . . . 0.0 109.264 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.571 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 0.3 OUTLIER -113.98 -132.12 0.33 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.193 -0.942 . . . . 0.0 109.781 -179.554 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.434 ' CD ' ' O ' ' A' ' 76' ' ' GLU . 0.6 OUTLIER -90.26 13.25 15.79 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.214 -0.929 . . . . 0.0 109.771 -179.668 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.672 ' N ' ' OD1' ' A' ' 77' ' ' ASP . 1.1 p-10 -103.64 -40.69 6.2 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.191 -0.943 . . . . 0.0 109.549 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 79.37 50.54 5.69 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.437 ' O ' ' O ' ' A' ' 80' ' ' LYS . 51.3 t30 -125.41 -6.44 7.03 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.291 -1.123 . . . . 0.0 109.485 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 79' ' ' ASN . 4.5 mttt 61.89 123.04 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.159 -0.963 . . . . 0.0 109.306 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.495 ' H ' HD12 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -155.84 -165.64 2.0 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.211 -0.93 . . . . 0.0 109.55 -179.835 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.1 mp -112.85 144.88 41.65 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.182 -0.949 . . . . 0.0 109.546 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER -139.33 115.98 10.72 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.355 -0.84 . . . . 0.0 109.574 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.649 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.8 OUTLIER -100.16 169.3 9.25 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.34 -0.85 . . . . 0.0 109.246 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.677 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -123.85 142.13 51.4 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.261 -0.899 . . . . 0.0 109.806 -179.656 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -122.83 131.49 53.78 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.274 -0.891 . . . . 0.0 109.148 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.97 147.39 36.0 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.143 -0.973 . . . . 0.0 109.721 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.728 ' SD ' ' CZ ' ' A' ' 65' ' ' PHE . 10.6 ttt -144.8 154.42 42.67 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.335 -0.853 . . . . 0.0 109.128 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -106.84 122.15 45.82 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.017 -1.052 . . . . 0.0 109.451 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 55.7 p -138.99 167.99 20.82 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.287 -0.883 . . . . 0.0 109.478 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.538 ' O ' ' C ' ' A' ' 92' ' ' LEU . . . -88.86 43.31 1.13 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.153 -0.967 . . . . 0.0 109.378 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.538 ' C ' ' O ' ' A' ' 91' ' ' ALA . 6.5 tp 36.3 80.97 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.139 -0.975 . . . . 0.0 109.501 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.478 ' CB ' HD12 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -138.68 147.83 43.27 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.209 -0.932 . . . . 0.0 109.367 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.96 -51.65 10.78 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.23 -0.919 . . . . 0.0 109.451 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.5 tttm -54.11 -55.31 28.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.216 -0.927 . . . . 0.0 109.358 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.478 HD12 ' CB ' ' A' ' 93' ' ' ASP . 8.1 mt -59.45 -48.89 79.91 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.339 -0.85 . . . . 0.0 109.496 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 18.1 mt -55.43 -28.7 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.193 -0.942 . . . . 0.0 109.499 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.531 ' OD2' ' NZ ' ' A' ' 18' ' ' LYS . 7.8 t0 -68.1 -51.36 47.24 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.308 -0.87 . . . . 0.0 109.478 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.436 ' HG3' ' H ' ' A' ' 99' ' ' GLU . 17.3 mt-10 -55.28 -34.24 63.92 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.257 -0.902 . . . . 0.0 109.649 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 101' ' ' VAL . 59.9 mt-30 -69.94 -69.06 0.37 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.237 -0.914 . . . . 0.0 109.652 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.504 HG13 ' OH ' ' A' ' 115' ' ' TYR . 53.0 t -43.1 -44.79 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.306 -0.871 . . . . 0.0 109.632 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -55.92 -45.35 78.75 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.155 -0.965 . . . . 0.0 109.458 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -61.44 -54.01 49.13 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.201 -0.937 . . . . 0.0 109.392 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 66.7 mt -59.42 -18.08 36.1 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.26 -0.9 . . . . 0.0 109.231 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.611 HG12 ' N ' ' A' ' 106' ' ' ASN . 2.6 t -82.42 -70.03 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.316 -0.865 . . . . 0.0 109.382 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.611 ' N ' HG12 ' A' ' 105' ' ' VAL . 12.6 m-80 -48.75 -33.5 10.4 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.16 -0.962 . . . . 0.0 109.32 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 110' ' ' LYS . 1.2 tp -74.74 -61.78 1.76 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.298 -0.876 . . . . 0.0 109.352 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.478 ' C ' ' O ' ' A' ' 107' ' ' LEU . . . -40.16 -43.25 1.61 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.221 -0.925 . . . . 0.0 109.278 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.69 -27.62 45.12 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.207 -0.933 . . . . 0.0 109.438 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' A' ' 107' ' ' LEU . 5.7 tptp -56.7 -33.6 66.62 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.208 -0.932 . . . . 0.0 109.366 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.483 ' O ' ' CG ' ' A' ' 112' ' ' ASP . 12.0 m-85 -99.26 -76.91 0.53 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.272 -0.893 . . . . 0.0 109.344 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.483 ' CG ' ' O ' ' A' ' 111' ' ' PHE . 0.8 OUTLIER 168.67 31.67 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.189 -0.944 . . . . 0.0 109.869 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.445 HG22 ' HB2' ' A' ' 47' ' ' ALA . 18.4 pt -113.96 146.14 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.199 -0.938 . . . . 0.0 109.078 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.495 HD12 ' N ' ' A' ' 115' ' ' TYR . 0.4 OUTLIER -97.15 114.22 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.121 -0.987 . . . . 0.0 109.988 -179.409 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.504 ' OH ' HG13 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -93.72 106.64 18.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.321 -0.862 . . . . 0.0 108.838 179.566 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -146.73 85.02 1.62 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.22 -0.925 . . . . 0.0 109.583 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 157.22 92.66 0.09 OUTLIER Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 3.2 p-90 -128.83 135.72 49.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.22 -1.165 . . . . 0.0 109.428 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -154.67 145.42 12.56 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.461 -1.455 . . . . 0.0 109.461 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.45 172.64 8.07 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.284 -1.127 . . . . 0.0 109.492 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -112.65 133.14 54.83 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.312 -0.868 . . . . 0.0 109.307 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.63 173.32 0.06 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.204 -0.935 . . . . 0.0 109.58 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -89.69 68.02 7.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.252 -0.905 . . . . 0.0 109.781 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 125' ' ' LEU . . . 98.51 9.76 52.26 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.706 -1.358 . . . . 0.0 109.706 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 124' ' ' GLY . 4.2 mt 44.63 65.41 1.08 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.263 -1.14 . . . . 0.0 109.548 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.08 115.56 27.0 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.268 -0.895 . . . . 0.0 109.522 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.467 ' O ' ' N ' ' A' ' 129' ' ' HIS . 1.7 m-70 -87.26 85.61 7.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.193 -0.942 . . . . 0.0 109.391 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 127' ' ' HIS . 1.5 m170 41.11 -99.29 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.205 -0.934 . . . . 0.0 109.47 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.467 ' N ' ' O ' ' A' ' 127' ' ' HIS . 8.6 m-70 -116.62 -132.05 0.32 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.272 -0.892 . . . . 0.0 109.352 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.588 ' O ' ' CB ' ' A' ' 131' ' ' HIS . 5.1 t60 -76.65 14.41 0.81 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.244 -0.91 . . . . 0.0 109.471 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.588 ' CB ' ' O ' ' A' ' 130' ' ' HIS . 6.7 t60 82.43 43.09 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.322 -0.862 . . . . 0.0 109.433 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 118.056 -0.973 . . . . 0.0 109.544 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.488 ' O ' ' C ' ' A' ' 2' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 1' ' ' MET . 0.4 OUTLIER 38.07 49.39 1.22 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.239 -0.913 . . . . 0.0 109.487 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.531 ' O ' ' C ' ' A' ' 4' ' ' GLN . 0.2 OUTLIER -118.4 67.68 0.77 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.29 -0.881 . . . . 0.0 109.374 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.531 ' C ' ' O ' ' A' ' 3' ' ' HIS . 3.9 tt0 -35.3 132.28 0.4 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.297 -0.877 . . . . 0.0 109.515 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.71 98.94 7.19 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.309 -0.87 . . . . 0.0 109.508 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -160.27 115.62 2.31 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.272 -0.893 . . . . 0.0 109.276 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.568 ' O ' ' O ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -148.85 68.72 1.06 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.211 -0.93 . . . . 0.0 109.424 -179.807 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.568 ' O ' ' O ' ' A' ' 7' ' ' TYR . 3.1 mt 55.19 153.53 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.076 -1.015 . . . . 0.0 109.397 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.629 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -121.76 70.97 0.96 Allowed 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.177 -0.952 . . . . 0.0 109.308 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 9' ' ' SER . 16.9 t -42.89 -16.8 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.102 -0.999 . . . . 0.0 109.175 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.629 ' N ' ' O ' ' A' ' 9' ' ' SER . 10.9 tp10 -71.2 -53.44 14.41 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.298 -0.876 . . . . 0.0 109.501 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 13' ' ' LEU . 8.7 pt-20 -49.36 -37.69 25.7 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.127 -0.983 . . . . 0.0 109.379 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.455 ' N ' ' CG ' ' A' ' 12' ' ' GLU . 40.5 mt -64.86 -48.67 73.46 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.231 -0.918 . . . . 0.0 109.417 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.2 mt -58.61 -43.99 88.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.171 -0.956 . . . . 0.0 109.455 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -56.25 -66.55 0.41 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.326 -0.859 . . . . 0.0 109.483 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.3 mp -47.31 -45.01 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.244 -0.91 . . . . 0.0 109.343 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.405 ' OE1' HG21 ' A' ' 101' ' ' VAL . 0.6 OUTLIER -54.77 -42.95 72.34 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.225 -0.922 . . . . 0.0 109.617 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.615 ' NZ ' ' OD2' ' A' ' 98' ' ' ASP . 50.7 mttm -61.67 -37.76 85.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.149 -0.969 . . . . 0.0 109.584 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -61.87 -60.01 4.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.08 -1.013 . . . . 0.0 109.594 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.0 -34.08 8.82 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.274 -0.891 . . . . 0.0 109.389 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 22' ' ' ARG . 2.4 m -68.17 -58.7 4.03 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.295 -0.878 . . . . 0.0 109.409 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 21' ' ' THR . 6.4 mmm180 -44.86 -44.86 9.88 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.275 -0.89 . . . . 0.0 109.848 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -62.67 -46.6 87.44 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.145 -0.972 . . . . 0.0 109.951 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 55.6 mt -64.94 -55.4 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.264 -0.898 . . . . 0.0 109.822 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 22.7 mm -51.49 -29.88 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.168 -0.958 . . . . 0.0 109.648 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -66.22 -59.98 3.23 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.199 -0.938 . . . . 0.0 109.7 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.25 -46.92 36.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.304 -0.872 . . . . 0.0 109.842 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 29' ' ' LEU . 1.8 mt -64.06 -69.13 0.3 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.229 -0.919 . . . . 0.0 109.877 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -41.21 -37.89 1.01 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.202 -0.936 . . . . 0.0 109.588 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -58.93 -51.91 68.03 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.204 -0.935 . . . . 0.0 109.515 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.58 -29.64 52.06 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.149 -0.969 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 113.81 14.04 9.76 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.9 t -47.75 142.96 4.26 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.294 -1.121 . . . . 0.0 109.572 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -106.81 146.1 32.42 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.289 -0.882 . . . . 0.0 109.263 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -70.0 -18.9 35.58 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.686 2.257 . . . . 0.0 112.218 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -88.3 7.8 30.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.249 -0.907 . . . . 0.0 109.461 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -90.41 -10.56 43.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.254 -0.904 . . . . 0.0 109.676 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.0 tp 64.95 139.16 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.181 -0.949 . . . . 0.0 109.439 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -133.54 146.19 50.82 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.303 -0.873 . . . . 0.0 109.437 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -103.37 122.08 44.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.207 -0.933 . . . . 0.0 109.376 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mm -91.2 126.02 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.245 -0.91 . . . . 0.0 109.611 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.17 116.65 32.3 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.294 -0.879 . . . . 0.0 109.323 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.501 ' ND1' ' CD1' ' A' ' 104' ' ' LEU . 14.2 m-70 -110.66 137.36 48.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.157 -0.964 . . . . 0.0 109.464 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.453 ' CD2' ' OD1' ' A' ' 85' ' ' ASP . 33.1 m170 -111.81 135.88 51.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.286 -0.884 . . . . 0.0 109.419 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 3.4 mp -140.47 144.55 36.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.179 -0.95 . . . . 0.0 109.601 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.552 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -129.73 154.28 47.34 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.303 -0.873 . . . . 0.0 109.497 179.876 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.593 ' HB1' ' HE3' ' A' ' 52' ' ' LYS . . . -135.5 171.2 14.78 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.22 -0.925 . . . . 0.0 109.373 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.555 ' H ' ' NZ ' ' A' ' 52' ' ' LYS . 2.1 mp0 -108.61 -12.29 14.99 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.296 -0.877 . . . . 0.0 109.488 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.498 ' H ' ' HE3' ' A' ' 52' ' ' LYS . 66.1 m-20 -135.65 127.63 29.58 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.295 -0.878 . . . . 0.0 109.555 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.76 -17.68 25.32 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.277 -0.89 . . . . 0.0 109.432 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.82 -68.65 0.33 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.27 -0.894 . . . . 0.0 109.447 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.593 ' HE3' ' HB1' ' A' ' 47' ' ' ALA . 5.3 pttt -60.81 -27.82 68.33 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.218 -0.926 . . . . 0.0 109.437 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.513 ' C ' HD23 ' A' ' 53' ' ' LEU . 4.7 tt -61.49 -56.53 19.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.277 -0.89 . . . . 0.0 109.573 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.86 -42.4 84.42 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.227 -0.92 . . . . 0.0 109.518 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -60.52 -60.92 3.03 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.244 -0.91 . . . . 0.0 109.529 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.21 -57.4 11.31 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.268 -0.895 . . . . 0.0 109.793 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.498 ' O ' ' C ' ' A' ' 58' ' ' VAL . . . -45.28 -62.67 1.17 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.149 -0.969 . . . . 0.0 109.685 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.498 ' C ' ' O ' ' A' ' 57' ' ' ALA . 2.0 t -38.6 -51.52 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.289 -0.882 . . . . 0.0 109.571 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.48 ' O ' ' C ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -55.54 -57.26 12.66 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.29 -0.881 . . . . 0.0 109.694 -179.638 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.48 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . -40.03 -47.09 2.23 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.2 -0.938 . . . . 0.0 109.587 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -63.36 -40.41 97.18 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.222 -0.924 . . . . 0.0 109.682 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -60.36 -41.14 93.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.235 -0.916 . . . . 0.0 109.571 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 28.2 mtm -69.12 -48.66 61.88 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.22 -0.925 . . . . 0.0 109.477 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.38 32.73 0.09 OUTLIER Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.624 ' CE2' ' SD ' ' A' ' 88' ' ' MET . 32.6 m-85 -108.73 118.56 37.09 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.26 -1.141 . . . . 0.0 109.465 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -69.37 86.71 0.43 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.209 -0.932 . . . . 0.0 109.416 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 67' ' ' VAL . 9.4 p -62.59 132.26 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.259 -0.901 . . . . 0.0 109.393 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.425 HD23 ' H ' ' A' ' 69' ' ' GLU . 0.5 OUTLIER -109.48 150.1 28.61 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.29 -0.881 . . . . 0.0 109.632 -179.75 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.425 ' H ' HD23 ' A' ' 68' ' ' LEU . 9.3 tt0 -48.95 152.85 0.96 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.43 -0.794 . . . . 0.0 109.667 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -101.27 167.71 10.02 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.472 -0.767 . . . . 0.0 109.202 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.516 ' O ' ' C ' ' A' ' 72' ' ' GLU . 71.7 tt0 -136.41 112.23 9.51 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.172 -0.955 . . . . 0.0 109.539 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.643 ' CD ' ' H ' ' A' ' 72' ' ' GLU . 1.2 pm0 -37.74 100.92 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.355 -0.84 . . . . 0.0 109.379 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.494 HG23 ' N ' ' A' ' 74' ' ' GLU . 12.5 t -101.88 -156.42 0.56 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.299 -0.875 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.494 ' N ' HG23 ' A' ' 73' ' ' THR . 0.4 OUTLIER -150.62 136.87 18.6 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.252 -0.905 . . . . 0.0 109.529 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.648 ' O ' ' N ' ' A' ' 77' ' ' ASP . 59.4 t0 -69.15 48.59 0.07 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.321 -0.862 . . . . 0.0 109.412 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.499 ' C ' ' O ' ' A' ' 75' ' ' ASP . 5.7 mt-10 38.69 21.56 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.277 -0.889 . . . . 0.0 109.469 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.648 ' N ' ' O ' ' A' ' 75' ' ' ASP . 14.8 t70 -130.06 -31.72 1.88 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.226 -0.921 . . . . 0.0 109.606 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 126.71 35.43 0.56 Allowed Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -106.1 -158.61 0.66 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.179 -1.189 . . . . 0.0 109.353 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -159.94 95.57 1.18 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.244 -0.91 . . . . 0.0 109.65 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.725 ' H ' HD12 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -127.28 144.57 51.02 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.273 -0.892 . . . . 0.0 109.299 179.738 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.41 132.92 38.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.194 -0.941 . . . . 0.0 109.438 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.4 p -123.7 106.85 10.86 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.206 -0.934 . . . . 0.0 109.478 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 45' ' ' LEU . 9.0 p90 -99.14 161.39 13.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.114 -0.991 . . . . 0.0 109.382 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.453 ' OD1' ' CD2' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -109.23 171.48 7.41 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.251 -0.906 . . . . 0.0 109.715 -179.664 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -155.41 125.77 6.77 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.418 -0.802 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.46 149.82 35.72 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.085 -1.01 . . . . 0.0 109.82 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.624 ' SD ' ' CE2' ' A' ' 65' ' ' PHE . 13.0 ttt -152.55 111.07 3.74 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.372 -0.83 . . . . 0.0 109.37 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -58.43 144.37 42.26 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.29 -0.881 . . . . 0.0 109.653 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.47 170.63 14.23 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.28 -0.887 . . . . 0.0 109.421 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.54 ' O ' ' C ' ' A' ' 92' ' ' LEU . . . -102.3 122.13 43.63 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.218 -0.926 . . . . 0.0 109.561 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.54 ' C ' ' O ' ' A' ' 91' ' ' ALA . 4.7 tp -36.19 102.39 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.257 -0.902 . . . . 0.0 109.461 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.515 ' O ' ' C ' ' A' ' 94' ' ' ALA . 1.4 m-20 -159.73 97.22 1.29 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.198 -0.939 . . . . 0.0 109.561 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 93' ' ' ASP . . . -37.31 -47.0 0.8 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.257 -0.902 . . . . 0.0 109.416 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.463 ' HZ2' ' HB3' ' A' ' 95' ' ' LYS . 6.4 mtpm? -52.45 -55.0 24.84 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.224 -0.923 . . . . 0.0 109.404 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 99' ' ' GLU . 0.2 OUTLIER -64.7 -61.63 2.07 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.25 -0.906 . . . . 0.0 109.102 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.492 ' C ' ' O ' ' A' ' 96' ' ' LEU . 34.4 mt -38.68 -38.14 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.39 -0.819 . . . . 0.0 109.396 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.615 ' OD2' ' NZ ' ' A' ' 18' ' ' LYS . 89.9 m-20 -67.3 -41.42 85.38 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.192 -0.943 . . . . 0.0 109.321 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 96' ' ' LEU . 5.0 mm-40 -61.39 -43.06 99.52 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.313 -0.867 . . . . 0.0 109.374 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -63.27 -44.13 95.97 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.271 -0.893 . . . . 0.0 109.294 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.539 ' O ' ' C ' ' A' ' 102' ' ' GLU . 69.8 t -64.88 -63.13 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.295 -0.878 . . . . 0.0 109.493 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.539 ' C ' ' O ' ' A' ' 101' ' ' VAL . 4.2 tt0 -35.76 -47.57 0.5 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.299 -0.876 . . . . 0.0 109.553 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -60.3 -42.73 96.11 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.236 -0.915 . . . . 0.0 109.476 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 101' ' ' VAL . 84.2 mt -71.24 -17.81 62.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.303 -0.873 . . . . 0.0 109.698 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.0 t -82.51 -50.95 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.217 -0.927 . . . . 0.0 109.745 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.522 ' N ' ' OD1' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -66.04 -43.26 88.05 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.209 -0.932 . . . . 0.0 109.906 -179.69 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.15 -50.49 61.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.281 -0.887 . . . . 0.0 109.676 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.437 ' HB1' HG13 ' A' ' 113' ' ' ILE . . . -49.85 -53.25 26.84 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.276 -0.89 . . . . 0.0 109.722 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -69.29 -19.44 63.9 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.242 -0.911 . . . . 0.0 109.644 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.57 ' HZ3' ' HB3' ' A' ' 110' ' ' LYS . 2.1 ttpm? -68.01 -32.48 72.9 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.176 -0.953 . . . . 0.0 109.598 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.563 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 11.4 m-85 -97.7 -77.22 0.5 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.189 -0.944 . . . . 0.0 109.689 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.571 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER 170.41 30.62 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.197 -0.939 . . . . 0.0 109.681 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.437 HG13 ' HB1' ' A' ' 108' ' ' ALA . 22.2 pt -114.26 173.68 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.221 -0.925 . . . . 0.0 109.192 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.8 tt -123.85 131.23 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.049 -1.032 . . . . 0.0 109.822 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.687 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 1.4 t80 -101.89 95.55 6.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.404 -0.81 . . . . 0.0 108.932 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -142.05 80.48 1.71 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.232 -0.917 . . . . 0.0 109.683 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 159.3 77.27 0.02 OUTLIER Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -116.49 150.6 37.64 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.052 -1.264 . . . . 0.0 109.153 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.12 167.69 36.16 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 4.4 t -127.42 167.7 15.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.405 -1.056 . . . . 0.0 109.391 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.99 103.85 15.74 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.233 -0.917 . . . . 0.0 109.577 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -63.24 147.94 49.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.192 -0.942 . . . . 0.0 109.223 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.0 82.72 2.79 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.201 -0.937 . . . . 0.0 109.455 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -170.53 -123.42 0.69 Allowed Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 55.19 89.19 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.188 -1.184 . . . . 0.0 109.375 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -102.59 144.21 31.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.29 -0.881 . . . . 0.0 109.683 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 128' ' ' HIS . 1.8 m80 58.43 87.39 0.07 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.273 -0.892 . . . . 0.0 109.559 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 127' ' ' HIS . 33.8 m80 -45.05 126.04 5.67 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.137 -0.977 . . . . 0.0 109.075 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -176.3 166.8 2.84 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.094 -1.004 . . . . 0.0 109.94 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.68 ' ND1' ' N ' ' A' ' 130' ' ' HIS . 0.0 OUTLIER -132.74 -134.75 0.18 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.417 -0.802 . . . . 0.0 109.216 179.853 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.552 ' O ' ' OXT' ' A' ' 132' ' ' HIS . 1.9 t60 -137.33 -156.94 0.73 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.2 -0.938 . . . . 0.0 109.521 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.552 ' OXT' ' O ' ' A' ' 131' ' ' HIS . 2.2 t60 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.511 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.5 ' C ' ' H ' ' A' ' 4' ' ' GLN . 10.4 t -51.11 -26.47 6.58 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.337 -0.852 . . . . 0.0 109.343 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.48 ' CB ' ' O ' ' A' ' 2' ' ' SER . 9.3 t-80 73.98 -30.34 0.21 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.266 -0.896 . . . . 0.0 109.341 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.5 ' H ' ' C ' ' A' ' 2' ' ' SER . 21.7 mt-30 55.7 91.95 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.322 -0.861 . . . . 0.0 109.553 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.563 ' O ' ' OD1' ' A' ' 6' ' ' ASP . 5.7 m-20 -78.73 -111.87 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.236 -0.915 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.563 ' OD1' ' O ' ' A' ' 5' ' ' ASP . 0.7 OUTLIER -160.52 -28.6 0.06 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.192 -0.942 . . . . 0.0 109.339 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.655 ' O ' ' N ' ' A' ' 9' ' ' SER . 35.5 m-85 -144.92 59.49 1.31 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.263 -0.898 . . . . 0.0 109.378 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.574 ' CD1' ' H ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -43.5 87.32 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.267 -0.895 . . . . 0.0 109.45 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.655 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -77.43 110.24 12.03 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.258 -0.901 . . . . 0.0 109.651 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.6 m -59.61 -16.85 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.231 -0.918 . . . . 0.0 109.121 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -70.15 -58.25 4.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.396 -0.815 . . . . 0.0 109.587 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.411 ' CG ' ' N ' ' A' ' 13' ' ' LEU . 5.3 pt-20 -56.68 -34.64 67.59 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.199 -0.938 . . . . 0.0 109.483 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.411 ' N ' ' CG ' ' A' ' 12' ' ' GLU . 89.4 mt -69.84 -43.19 72.43 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.19 -0.944 . . . . 0.0 109.309 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.2 mt -61.49 -37.94 78.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.286 -0.884 . . . . 0.0 109.506 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -63.05 -56.58 15.75 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.276 -0.89 . . . . 0.0 109.478 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.4 mt -47.94 -67.12 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.334 -0.854 . . . . 0.0 109.643 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -45.71 -39.16 7.7 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.305 -0.872 . . . . 0.0 109.777 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.2 ttmt -58.16 -39.51 79.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.223 -0.923 . . . . 0.0 109.56 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -74.01 -56.92 4.35 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.247 -0.908 . . . . 0.0 109.446 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -48.66 -61.24 2.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.268 -0.895 . . . . 0.0 109.571 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.489 ' O ' ' C ' ' A' ' 22' ' ' ARG . 98.4 m -48.04 -63.21 1.13 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.253 -0.904 . . . . 0.0 109.578 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.489 ' C ' ' O ' ' A' ' 21' ' ' THR . 1.5 ttp180 -39.05 -37.61 0.39 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.287 -0.883 . . . . 0.0 109.653 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -47.4 71.82 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.198 -0.939 . . . . 0.0 109.502 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.475 ' O ' ' C ' ' A' ' 25' ' ' ILE . 19.2 mt -63.32 -61.12 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.293 -0.879 . . . . 0.0 109.526 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.475 ' C ' ' O ' ' A' ' 24' ' ' ILE . 11.4 mm -39.21 -48.02 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.253 -0.904 . . . . 0.0 109.571 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -60.05 -43.07 95.62 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.181 -0.95 . . . . 0.0 109.397 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . -61.24 -65.03 0.76 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.26 -0.9 . . . . 0.0 109.424 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.668 ' O ' ' N ' ' A' ' 32' ' ' GLY . 13.9 mt -43.98 -52.3 7.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.309 -0.869 . . . . 0.0 109.378 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.7 mt -50.66 -33.64 23.26 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.255 -0.903 . . . . 0.0 109.538 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 27' ' ' ALA . 1.4 tt0 -74.2 -37.78 63.81 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.215 -0.928 . . . . 0.0 109.581 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -129.49 42.0 3.36 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.203 -0.935 . . . . 0.0 109.519 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.668 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -178.63 27.95 0.06 OUTLIER Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.53 75.35 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.248 -1.148 . . . . 0.0 109.599 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -138.32 52.24 4.55 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.138 -0.976 . . . . 0.0 109.411 179.806 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 34' ' ' ASP . 27.1 Cg_endo -65.47 -19.35 60.98 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.875 2.383 . . . . 0.0 112.225 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -85.46 -6.55 59.19 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.259 -0.901 . . . . 0.0 109.474 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.11 10.71 36.75 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.287 -0.883 . . . . 0.0 109.456 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER 64.56 141.25 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.284 -0.885 . . . . 0.0 109.359 179.897 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.432 ' CD1' ' HB2' ' A' ' 92' ' ' LEU . 2.1 m-85 -119.25 169.33 10.06 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.32 -0.863 . . . . 0.0 109.445 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -123.6 114.72 20.4 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.272 -0.893 . . . . 0.0 109.546 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.446 HD13 ' N ' ' A' ' 41' ' ' ILE . 6.6 mm -90.0 154.4 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.257 -0.902 . . . . 0.0 109.403 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -137.8 122.15 18.24 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.206 -0.934 . . . . 0.0 109.616 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -116.19 138.47 51.25 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.274 -0.891 . . . . 0.0 109.614 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -114.06 131.16 56.48 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.248 -0.908 . . . . 0.0 109.245 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 3.0 mp -135.42 147.75 49.09 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.365 -0.834 . . . . 0.0 109.428 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.601 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 1.7 p90 -134.66 150.61 50.66 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 0.0 109.656 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.46 176.91 8.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.444 -0.785 . . . . 0.0 109.682 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -112.09 -52.61 2.77 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.379 -0.825 . . . . 0.0 109.298 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.67 ' O ' ' N ' ' A' ' 51' ' ' ASP . 5.1 t0 -79.58 99.91 7.54 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.231 -0.918 . . . . 0.0 109.508 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -43.76 -12.08 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.244 -0.91 . . . . 0.0 109.506 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.67 ' N ' ' O ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -73.78 -66.69 0.67 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.198 -0.939 . . . . 0.0 109.512 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -59.96 -18.93 49.16 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.189 -0.944 . . . . 0.0 109.653 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.668 ' C ' HD23 ' A' ' 53' ' ' LEU . 3.7 tt -71.83 -62.95 1.24 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.184 -0.947 . . . . 0.0 109.605 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -59.84 -20.45 57.07 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.227 -0.921 . . . . 0.0 109.509 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -76.84 -54.98 5.9 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.28 -0.888 . . . . 0.0 109.384 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.96 -31.51 72.64 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.303 -0.873 . . . . 0.0 109.364 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.466 ' HB1' HG21 ' A' ' 67' ' ' VAL . . . -67.7 -51.62 47.37 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.317 -0.864 . . . . 0.0 109.475 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.9 t -50.41 -56.32 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.253 -0.904 . . . . 0.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -48.41 -52.79 20.35 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.248 -0.908 . . . . 0.0 109.384 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -46.67 -47.93 20.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.249 -0.907 . . . . 0.0 109.266 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -52.23 -54.22 33.77 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.318 -0.864 . . . . 0.0 109.489 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -46.94 -41.38 16.01 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.274 -0.891 . . . . 0.0 109.431 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 60.1 mtt -63.54 -56.97 11.82 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.249 -0.907 . . . . 0.0 109.381 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.07 43.34 0.04 OUTLIER Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 88' ' ' MET . 18.3 m-85 -113.32 145.97 40.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.283 -1.128 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.657 ' OE1' ' N ' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -89.42 70.87 8.08 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.254 -0.903 . . . . 0.0 109.415 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.466 HG21 ' HB1' ' A' ' 57' ' ' ALA . 5.9 p -46.57 149.11 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.242 -0.911 . . . . 0.0 109.411 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -132.6 150.03 52.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.294 -0.879 . . . . 0.0 109.59 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -56.45 172.79 0.21 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.258 -0.902 . . . . 0.0 109.696 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.476 ' HB1' ' H ' ' A' ' 83' ' ' CYS . . . -119.86 -179.86 4.04 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.427 -0.796 . . . . 0.0 109.416 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.472 ' O ' ' C ' ' A' ' 72' ' ' GLU . 43.7 tt0 -146.38 135.78 22.92 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.15 -0.969 . . . . 0.0 109.525 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -40.1 111.89 0.23 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.224 -0.923 . . . . 0.0 109.285 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.655 HG22 ' O ' ' A' ' 81' ' ' LEU . 11.9 t -113.11 -165.59 1.01 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.21 -0.931 . . . . 0.0 109.65 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -159.84 138.47 10.57 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.388 -0.82 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 76' ' ' GLU . 9.9 t70 -94.83 -165.36 1.29 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.154 -0.966 . . . . 0.0 109.518 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.526 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 6.8 mt-10 -80.98 20.74 0.76 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.223 -0.923 . . . . 0.0 109.637 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -127.35 -16.7 4.86 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.234 -0.916 . . . . 0.0 109.474 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 89.49 80.21 1.33 Allowed Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.594 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 24.0 t-20 -154.3 119.11 4.93 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.277 -1.131 . . . . 0.0 109.515 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.0 107.69 1.32 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.222 -0.924 . . . . 0.0 109.382 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.655 ' O ' HG22 ' A' ' 73' ' ' THR . 0.6 OUTLIER -118.85 161.52 20.03 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.208 -0.933 . . . . 0.0 109.427 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.608 HD23 ' N ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -100.18 129.29 46.18 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.22 -0.925 . . . . 0.0 109.502 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.64 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 24.3 p -123.79 100.03 6.57 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.413 -0.804 . . . . 0.0 109.927 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.484 ' CZ ' ' HB2' ' A' ' 45' ' ' LEU . 19.3 p90 -89.87 157.76 17.75 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.214 -0.929 . . . . 0.0 108.748 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.671 ' OD1' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -112.27 171.56 7.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.082 -1.011 . . . . 0.0 110.352 -179.187 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.671 ' N ' ' OD1' ' A' ' 85' ' ' ASP . . . -150.91 110.82 4.08 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.13 159.31 15.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.304 -0.872 . . . . 0.0 109.953 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.481 ' SD ' ' NE2' ' A' ' 100' ' ' GLN . 0.9 OUTLIER -160.88 117.08 2.26 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.314 -0.866 . . . . 0.0 109.346 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -76.19 123.57 26.07 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.201 -0.937 . . . . 0.0 109.414 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.428 ' OG ' ' CD2' ' A' ' 96' ' ' LEU . 1.3 t -157.37 152.09 25.44 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.222 -0.924 . . . . 0.0 109.557 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.19 163.42 0.23 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.338 -0.851 . . . . 0.0 109.639 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.432 ' HB2' ' CD1' ' A' ' 39' ' ' TYR . 5.9 tp -92.07 106.17 18.25 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.241 -0.912 . . . . 0.0 109.335 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -152.84 121.54 6.44 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.202 -0.936 . . . . 0.0 109.542 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -47.87 -65.35 0.58 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.271 -0.893 . . . . 0.0 109.471 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.535 ' O ' ' N ' ' A' ' 98' ' ' ASP . 10.6 mttt -40.15 -65.0 0.44 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.254 -0.904 . . . . 0.0 109.424 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.465 ' C ' ' O ' ' A' ' 95' ' ' LYS . 0.4 OUTLIER -41.89 -56.05 2.87 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.196 -0.94 . . . . 0.0 109.193 179.855 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 32.6 mt -54.07 -27.98 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.396 -0.815 . . . . 0.0 109.29 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.535 ' N ' ' O ' ' A' ' 95' ' ' LYS . 0.4 OUTLIER -69.74 -56.39 7.3 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.265 -0.897 . . . . 0.0 109.447 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -56.35 -33.94 66.14 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.198 -0.939 . . . . 0.0 109.473 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.481 ' NE2' ' SD ' ' A' ' 88' ' ' MET . 31.0 mt-30 -69.16 -62.1 1.52 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.252 -0.905 . . . . 0.0 109.414 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.492 ' O ' HG23 ' A' ' 105' ' ' VAL . 38.0 t -52.34 -44.4 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.296 -0.877 . . . . 0.0 109.253 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.529 ' O ' ' OD1' ' A' ' 106' ' ' ASN . 0.9 OUTLIER -56.18 -38.26 70.7 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.397 -0.814 . . . . 0.0 109.482 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 13.8 mttm -66.83 -42.6 85.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.165 -0.96 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.9 mt -68.52 -32.05 71.74 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.191 -0.943 . . . . 0.0 109.393 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 101' ' ' VAL . 75.8 t -68.51 -39.3 80.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.368 -0.833 . . . . 0.0 109.862 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.529 ' OD1' ' O ' ' A' ' 102' ' ' GLU . 0.8 OUTLIER -68.34 -52.67 30.79 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.229 -0.919 . . . . 0.0 109.713 -179.743 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.3 tp -58.9 -51.0 71.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.08 -1.013 . . . . 0.0 109.55 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.3 -56.72 5.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.335 -0.853 . . . . 0.0 109.709 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -67.07 -16.67 64.49 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.244 -0.91 . . . . 0.0 109.738 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.3 tttm -76.04 -23.12 55.09 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.139 -0.976 . . . . 0.0 109.661 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.476 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 23.5 m-85 -107.79 -77.2 0.6 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.184 -0.947 . . . . 0.0 109.852 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.3 OUTLIER 167.92 34.96 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.062 -1.023 . . . . 0.0 109.838 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.2 pt -119.46 157.23 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.092 -1.005 . . . . 0.0 109.559 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.479 HG23 ' CZ ' ' A' ' 46' ' ' PHE . 0.7 OUTLIER -104.19 120.78 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.285 -0.884 . . . . 0.0 109.429 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.564 ' CD1' ' O ' ' A' ' 115' ' ' TYR . 2.5 t80 -97.61 111.57 23.79 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.285 -0.884 . . . . 0.0 109.424 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.636 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 2.6 p-10 -160.08 79.17 0.68 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.232 -0.917 . . . . 0.0 109.585 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 171.57 68.75 0.04 OUTLIER Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.433 -1.467 . . . . 0.0 109.433 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -111.42 146.17 37.65 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.204 -1.174 . . . . 0.0 109.584 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -164.54 174.3 40.55 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.95 169.79 16.91 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.232 -1.158 . . . . 0.0 109.605 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -127.28 133.73 50.13 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.228 -0.92 . . . . 0.0 109.398 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 123' ' ' GLU . 5.2 t80 -77.3 138.17 39.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.184 -0.947 . . . . 0.0 109.428 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.457 ' N ' ' CD1' ' A' ' 122' ' ' TYR . 0.4 OUTLIER -70.82 101.96 2.24 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.231 -0.918 . . . . 0.0 109.425 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 146.34 -143.91 12.14 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 55.05 57.14 5.83 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.225 -1.162 . . . . 0.0 109.457 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -112.28 25.79 11.19 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.996 -1.065 . . . . 0.0 109.561 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.3 79.62 2.33 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.299 -0.876 . . . . 0.0 109.238 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.537 ' O ' ' CG ' ' A' ' 129' ' ' HIS . 2.0 p-80 -88.71 58.82 4.81 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.212 -0.93 . . . . 0.0 109.588 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 128' ' ' HIS . 3.6 m80 -171.37 99.6 0.2 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.25 -0.906 . . . . 0.0 109.641 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.478 ' ND1' ' N ' ' A' ' 130' ' ' HIS . 0.2 OUTLIER -135.96 0.6 2.66 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.357 -0.839 . . . . 0.0 109.023 179.877 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.615 ' CG ' ' O ' ' A' ' 131' ' ' HIS . 54.2 t60 -83.29 51.67 2.03 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.291 -0.881 . . . . 0.0 109.451 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 131' ' ' HIS . 40.1 m170 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 117.965 -1.017 . . . . 0.0 109.407 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.33 0.586 . . . . 0.0 109.53 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -149.29 53.17 0.96 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.272 -0.892 . . . . 0.0 109.42 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -76.62 -173.54 2.61 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.294 -0.878 . . . . 0.0 109.606 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -127.16 150.1 49.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.216 -0.928 . . . . 0.0 109.301 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.53 ' O ' ' C ' ' A' ' 6' ' ' ASP . 0.0 OUTLIER -165.73 67.64 0.12 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.135 -0.978 . . . . 0.0 109.826 -179.854 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.53 ' C ' ' O ' ' A' ' 5' ' ' ASP . 1.0 OUTLIER 33.59 58.12 0.54 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.33 -0.856 . . . . 0.0 109.726 179.805 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.53 ' C ' ' O ' ' A' ' 6' ' ' ASP . 0.2 OUTLIER -36.99 122.99 0.86 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.244 -0.91 . . . . 0.0 109.405 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 pp -107.39 139.51 41.77 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.271 -0.893 . . . . 0.0 109.529 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.2 116.26 31.57 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.208 -0.933 . . . . 0.0 109.44 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.0 m -50.17 -27.4 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.3 -0.875 . . . . 0.0 109.576 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.507 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 22.8 tt0 -55.51 -62.2 1.84 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.312 -0.868 . . . . 0.0 109.698 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 13' ' ' LEU . 2.0 mt-10 -54.53 -57.83 9.83 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.258 -0.902 . . . . 0.0 109.743 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.464 ' N ' HD23 ' A' ' 13' ' ' LEU . 7.3 mt -44.04 -44.96 7.74 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.206 -0.933 . . . . 0.0 109.629 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.2 mt -61.08 -39.18 81.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.152 -0.967 . . . . 0.0 109.513 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.507 ' OE1' ' O ' ' A' ' 11' ' ' GLU . 2.0 mp0 -63.12 -57.06 11.84 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.273 -0.892 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.0 mm -54.52 -29.39 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.247 -0.908 . . . . 0.0 109.505 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.417 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -74.43 -37.3 63.33 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.328 -0.857 . . . . 0.0 109.375 -179.885 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -64.02 -37.98 89.42 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.333 -0.855 . . . . 0.0 109.368 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -72.24 -44.53 62.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.219 -0.926 . . . . 0.0 109.262 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.3 -55.07 38.18 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.354 -0.841 . . . . 0.0 109.265 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 17' ' ' GLN . 1.5 m -47.61 -57.6 5.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.317 -0.865 . . . . 0.0 109.339 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -49.82 -38.23 33.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.302 -0.874 . . . . 0.0 109.473 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -65.88 -41.75 91.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.222 -0.924 . . . . 0.0 109.562 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.481 ' O ' ' C ' ' A' ' 25' ' ' ILE . 86.0 mt -72.3 -63.58 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.189 -0.944 . . . . 0.0 109.511 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.481 ' C ' ' O ' ' A' ' 24' ' ' ILE . 34.6 mm -39.25 -38.4 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.216 -0.928 . . . . 0.0 109.406 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -68.55 -55.03 13.02 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.189 -0.944 . . . . 0.0 109.382 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.46 -48.71 65.68 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.321 -0.862 . . . . 0.0 109.48 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.67 ' O ' ' N ' ' A' ' 32' ' ' GLY . 15.5 mt -55.39 -54.57 42.1 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.181 -0.949 . . . . 0.0 109.263 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 25' ' ' ILE . 7.2 mp -58.03 -19.02 28.07 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.347 -0.845 . . . . 0.0 109.567 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.56 ' O ' ' OD1' ' A' ' 31' ' ' ASP . 20.2 tt0 -81.79 -31.6 31.76 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.13 -0.981 . . . . 0.0 109.582 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.56 ' OD1' ' O ' ' A' ' 30' ' ' GLU . 22.1 m-20 -143.36 29.88 1.41 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.194 -0.941 . . . . 0.0 109.699 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.67 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -173.4 38.74 0.14 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.514 ' O ' ' O ' ' A' ' 32' ' ' GLY . 68.0 m -57.99 -121.43 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.259 -1.142 . . . . 0.0 109.491 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.536 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 3.9 m-20 53.89 49.09 5.46 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.296 -0.878 . . . . 0.0 109.548 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 34' ' ' ASP . 40.6 Cg_endo -70.31 -2.66 10.94 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.746 2.297 . . . . 0.0 112.054 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.641 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 0.2 OUTLIER -88.5 -17.3 30.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.22 -0.925 . . . . 0.0 109.395 179.902 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' A' ' 38' ' ' LEU . . . -71.08 -84.32 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.25 -0.906 . . . . 0.0 109.34 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.407 ' CB ' ' O ' ' A' ' 37' ' ' ALA . 0.9 OUTLIER 169.04 150.44 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.237 -0.914 . . . . 0.0 109.481 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -138.22 157.89 45.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.306 -0.871 . . . . 0.0 109.457 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -119.57 116.04 25.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.305 -0.872 . . . . 0.0 109.462 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.875 HD12 ' N ' ' A' ' 41' ' ' ILE . 1.8 mp -85.65 136.87 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.329 -0.857 . . . . 0.0 109.325 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.431 ' OE2' ' CE2' ' A' ' 121' ' ' TYR . 6.3 mt-10 -113.46 126.39 55.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.125 -0.984 . . . . 0.0 109.749 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.5 ' CD2' ' CD1' ' A' ' 104' ' ' LEU . 71.5 m-70 -117.39 129.72 56.03 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.301 -0.874 . . . . 0.0 109.075 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.532 ' C ' HD12 ' A' ' 45' ' ' LEU . 26.3 m80 -109.22 134.01 52.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.148 -0.97 . . . . 0.0 109.938 -179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.532 HD12 ' C ' ' A' ' 44' ' ' HIS . 5.5 mp -137.05 142.88 42.42 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.458 -0.776 . . . . 0.0 109.249 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.676 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -119.37 157.74 27.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.218 -0.926 . . . . 0.0 109.661 -179.854 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.502 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -138.68 173.72 11.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.333 -0.854 . . . . 0.0 109.533 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.505 ' H ' ' HE3' ' A' ' 52' ' ' LYS . 30.1 mt-10 -109.89 -29.04 8.46 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.282 -0.886 . . . . 0.0 109.588 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.473 ' H ' ' CE ' ' A' ' 52' ' ' LYS . 11.7 t0 -118.8 133.82 55.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.208 -0.933 . . . . 0.0 109.586 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -60.73 -25.02 66.15 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.288 -0.883 . . . . 0.0 109.455 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.83 -74.08 0.08 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.245 -0.91 . . . . 0.0 109.602 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.505 ' HE3' ' H ' ' A' ' 48' ' ' GLU . 19.7 pttt -56.62 -25.37 52.93 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.26 -0.9 . . . . 0.0 109.642 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.502 HD12 ' HB3' ' A' ' 47' ' ' ALA . 3.9 tt -64.3 -53.9 41.57 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.16 -0.963 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.406 ' O ' HG23 ' A' ' 58' ' ' VAL . 21.0 mm-40 -63.72 -28.24 69.76 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.176 -0.953 . . . . 0.0 109.193 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 111' ' ' PHE . 38.8 mmtt -67.97 -67.84 0.43 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.273 -0.892 . . . . 0.0 109.333 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.54 -48.16 38.74 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.276 -0.89 . . . . 0.0 109.297 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.31 -62.21 1.8 Allowed 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.293 -0.879 . . . . 0.0 109.246 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 54' ' ' GLU . 50.3 t -49.45 -36.71 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.248 -0.907 . . . . 0.0 109.179 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -51.86 66.55 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.285 -0.885 . . . . 0.0 109.246 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.51 -44.98 95.05 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.314 -0.866 . . . . 0.0 109.204 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -52.16 -35.61 49.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.269 -0.895 . . . . 0.0 109.297 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 63' ' ' MET . 10.0 tttm -71.27 -53.68 13.45 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.239 -0.913 . . . . 0.0 109.364 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 62' ' ' LYS . 33.2 mtm -42.71 -49.26 5.64 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.284 -0.885 . . . . 0.0 109.447 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.05 33.91 0.09 OUTLIER Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.424 ' CD2' ' HB2' ' A' ' 88' ' ' MET . 54.4 m-85 -107.66 154.27 21.71 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.239 -1.154 . . . . 0.0 109.504 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.58 74.72 3.24 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.257 -0.902 . . . . 0.0 109.228 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 p -46.41 144.8 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.291 -0.881 . . . . 0.0 109.501 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.507 ' O ' ' O ' ' A' ' 69' ' ' GLU . 0.8 OUTLIER -128.38 136.06 50.39 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.294 -0.879 . . . . 0.0 109.353 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.507 ' O ' ' O ' ' A' ' 68' ' ' LEU . 41.6 tt0 -39.6 161.61 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.245 -0.909 . . . . 0.0 109.399 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.453 ' N ' ' HG2' ' A' ' 69' ' ' GLU . . . -104.96 176.88 5.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.178 -0.951 . . . . 0.0 109.765 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 73' ' ' THR . 3.7 tt0 -131.16 120.54 23.46 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.37 -0.832 . . . . 0.0 109.158 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.81 89.25 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.245 -0.91 . . . . 0.0 109.81 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.547 ' OG1' ' N ' ' A' ' 74' ' ' GLU . 2.8 t -111.19 -139.81 0.38 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.306 -0.871 . . . . 0.0 109.308 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.547 ' N ' ' OG1' ' A' ' 73' ' ' THR . 24.1 pt-20 -167.63 145.48 4.57 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.235 -0.915 . . . . 0.0 109.528 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 77' ' ' ASP . 25.6 p-10 -79.27 49.08 0.93 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.27 -0.893 . . . . 0.0 109.257 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.461 ' N ' ' CD ' ' A' ' 76' ' ' GLU . 6.5 mp0 49.04 13.0 0.05 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.305 -0.872 . . . . 0.0 109.283 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 75' ' ' ASP . 2.7 t70 -112.11 -2.73 14.91 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.38 -0.825 . . . . 0.0 109.517 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.97 43.43 10.97 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.546 -1.421 . . . . 0.0 109.546 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 80' ' ' LYS . 5.0 m-20 -130.89 92.03 3.16 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.251 -1.147 . . . . 0.0 109.453 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 79' ' ' ASN . 16.7 mttp -43.69 116.73 1.01 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.188 -0.945 . . . . 0.0 109.412 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 pp -136.18 141.8 44.08 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.287 -0.883 . . . . 0.0 109.31 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.575 ' CD1' ' N ' ' A' ' 82' ' ' LEU . 5.5 mp -81.21 130.71 35.15 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.207 -0.933 . . . . 0.0 109.805 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.6 p -123.27 100.74 7.0 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.475 -0.765 . . . . 0.0 109.291 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 45' ' ' LEU . 29.3 p90 -91.86 146.8 23.46 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.314 -0.866 . . . . 0.0 109.45 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.623 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 0.1 OUTLIER -107.48 164.23 12.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.239 -0.913 . . . . 0.0 109.685 -179.728 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -143.01 128.61 19.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.355 -0.841 . . . . 0.0 109.158 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.55 139.44 43.31 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.153 -0.967 . . . . 0.0 109.792 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.424 ' HB2' ' CD2' ' A' ' 65' ' ' PHE . 0.8 OUTLIER -131.0 100.27 5.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.367 -0.833 . . . . 0.0 109.112 179.709 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -67.69 122.72 18.68 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.217 -0.927 . . . . 0.0 109.793 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 93.3 p -165.46 170.74 14.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.338 -0.851 . . . . 0.0 109.302 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.12 -179.11 0.27 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.173 -0.954 . . . . 0.0 109.512 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.7 tp -107.74 98.44 8.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.247 -0.908 . . . . 0.0 109.613 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.469 ' O ' ' C ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -142.08 107.41 5.01 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.198 -0.939 . . . . 0.0 109.282 179.769 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.605 ' HA ' HD12 ' A' ' 97' ' ' ILE . . . -38.67 -73.2 0.05 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.207 -0.933 . . . . 0.0 109.661 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.535 ' C ' ' O ' ' A' ' 94' ' ' ALA . 15.7 mmtt -32.73 -60.0 0.32 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.407 -0.808 . . . . 0.0 109.902 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.4 tp -49.77 -45.02 49.16 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.175 -0.953 . . . . 0.0 109.362 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' A' ' 94' ' ' ALA . 43.7 mt -59.03 -25.33 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.221 -0.925 . . . . 0.0 109.213 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -74.37 -42.23 59.66 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.254 -0.904 . . . . 0.0 109.242 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -63.97 -39.09 93.35 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.217 -0.927 . . . . 0.0 109.282 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -71.6 -48.89 45.16 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.292 -0.88 . . . . 0.0 109.234 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.555 HG13 ' CE2' ' A' ' 115' ' ' TYR . 12.3 t -57.4 -49.29 80.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.183 -0.948 . . . . 0.0 109.091 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -56.51 -44.11 80.41 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.2 -0.937 . . . . 0.0 108.954 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -57.12 -43.81 82.7 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.436 -0.79 . . . . 0.0 108.884 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.5 ' CD1' ' CD2' ' A' ' 43' ' ' HIS . 43.4 mt -66.72 -26.99 67.27 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.356 -0.84 . . . . 0.0 109.014 179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.538 HG12 ' N ' ' A' ' 106' ' ' ASN . 2.8 t -72.15 -68.1 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.342 -0.849 . . . . 0.0 109.233 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.538 ' N ' HG12 ' A' ' 105' ' ' VAL . 30.1 m120 -43.93 -35.69 2.12 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.235 -0.915 . . . . 0.0 109.128 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 110' ' ' LYS . 6.4 tp -69.95 -55.36 9.84 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.408 -0.808 . . . . 0.0 109.554 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 107' ' ' LEU . . . -44.36 -53.74 6.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.272 -0.893 . . . . 0.0 109.516 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -67.77 -23.12 65.19 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.241 -0.912 . . . . 0.0 109.447 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 107' ' ' LEU . 4.1 ttpp -63.55 -33.61 75.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.268 -0.895 . . . . 0.0 109.492 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.538 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 4.5 m-85 -102.36 -77.07 0.56 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.253 -0.904 . . . . 0.0 109.493 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.538 ' OD1' ' O ' ' A' ' 111' ' ' PHE . 0.8 OUTLIER 168.45 32.93 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.325 -0.859 . . . . 0.0 109.361 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 12.9 pt -117.18 -179.9 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.273 -0.892 . . . . 0.0 109.339 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.1 tt -124.52 150.81 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.235 -0.915 . . . . 0.0 109.844 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.625 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 6.7 t80 -125.13 92.11 3.57 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.329 -0.857 . . . . 0.0 109.116 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -140.9 64.57 1.42 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.267 -0.895 . . . . 0.0 109.687 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.503 ' O ' ' ND1' ' A' ' 44' ' ' HIS . . . 177.53 84.78 0.06 OUTLIER Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.92 -1.272 . . . . 0.0 109.92 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -120.44 147.73 44.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.228 -1.16 . . . . 0.0 109.09 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.95 152.83 23.35 Favored Glycine 0 N--CA 1.491 2.329 0 C-N-CA 119.652 -1.261 . . . . 0.0 110.016 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 6.0 t -134.65 158.37 44.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.364 -1.08 . . . . 0.0 109.347 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.431 ' CE2' ' OE2' ' A' ' 42' ' ' GLU . 45.7 m-85 -130.84 159.28 37.82 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.192 -0.943 . . . . 0.0 109.557 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.747 ' CG ' ' N ' ' A' ' 123' ' ' GLU . 49.0 t80 -92.89 -178.65 4.89 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.249 -0.907 . . . . 0.0 109.565 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.747 ' N ' ' CG ' ' A' ' 122' ' ' TYR . 10.4 mt-10 -84.95 173.58 10.45 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.332 -0.855 . . . . 0.0 109.574 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.486 ' C ' ' O ' ' A' ' 123' ' ' GLU . . . 39.14 61.12 1.48 Allowed Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.1 tt -131.07 117.92 19.82 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.207 -1.173 . . . . 0.0 109.34 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -89.58 -47.28 8.07 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.314 -0.866 . . . . 0.0 109.711 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -168.39 126.41 1.11 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.183 -0.948 . . . . 0.0 109.555 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -76.49 -69.77 0.49 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.197 -0.939 . . . . 0.0 109.48 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -60.75 143.86 53.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.248 -0.907 . . . . 0.0 109.461 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -100.18 102.95 14.39 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.194 -0.942 . . . . 0.0 109.444 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.507 ' CG ' ' H ' ' A' ' 132' ' ' HIS . 15.7 t-80 -111.8 -178.49 3.45 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.299 -0.876 . . . . 0.0 109.445 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.507 ' H ' ' CG ' ' A' ' 131' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 118.054 -0.974 . . . . 0.0 109.401 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.1 ttt . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.245 0.545 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.558 ' O ' ' CG ' ' A' ' 3' ' ' HIS . 1.8 t -142.88 -133.29 0.09 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.334 -0.854 . . . . 0.0 109.325 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.558 ' CG ' ' O ' ' A' ' 2' ' ' SER . 88.3 m-70 -157.71 -92.1 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.189 -0.945 . . . . 0.0 109.681 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -124.53 84.15 2.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.184 -0.947 . . . . 0.0 109.59 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.611 ' CG ' ' N ' ' A' ' 6' ' ' ASP . 2.0 t70 -74.19 176.99 6.1 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.172 -0.955 . . . . 0.0 109.288 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.611 ' N ' ' CG ' ' A' ' 5' ' ' ASP . 46.0 m-20 -84.98 114.83 22.44 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.175 -0.953 . . . . 0.0 109.47 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.587 ' CD2' ' O ' ' A' ' 7' ' ' TYR . 43.3 t80 -124.85 90.71 3.29 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.341 -0.849 . . . . 0.0 109.386 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.7 mt -55.87 -173.7 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.312 -0.868 . . . . 0.0 109.464 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.64 105.21 1.82 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.335 -0.853 . . . . 0.0 109.447 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.7 m -49.16 -19.05 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.266 -0.897 . . . . 0.0 109.434 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.47 -45.67 89.71 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.275 -0.891 . . . . 0.0 109.343 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 13' ' ' LEU . 1.2 mt-10 -75.09 -58.73 3.1 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.207 -0.933 . . . . 0.0 109.343 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 12' ' ' GLU . 14.6 mt -45.18 -40.7 7.47 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.203 -0.936 . . . . 0.0 109.28 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.597 ' CG2' ' HZ3' ' A' ' 18' ' ' LYS . 43.1 mt -64.35 -68.9 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.232 -0.917 . . . . 0.0 109.33 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.544 ' C ' ' O ' ' A' ' 14' ' ' ILE . 3.8 mm-40 -35.68 -42.25 0.24 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.252 -0.905 . . . . 0.0 109.396 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 32.7 mt -67.43 -62.02 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.179 -0.95 . . . . 0.0 109.332 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -46.29 -36.95 6.73 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.125 -0.985 . . . . 0.0 109.186 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.597 ' HZ3' ' CG2' ' A' ' 14' ' ' ILE . 20.7 mttp -60.93 -63.64 1.23 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.217 -0.927 . . . . 0.0 109.032 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.683 ' N ' HH21 ' A' ' 22' ' ' ARG . 3.5 tt0 -49.51 -60.77 2.56 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.361 -0.837 . . . . 0.0 109.215 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 23' ' ' ASP . 15.1 tt0 -45.62 -64.84 0.64 Allowed 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.247 -0.908 . . . . 0.0 109.163 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 20' ' ' GLU . 47.9 m -38.45 -65.49 0.34 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.38 -0.825 . . . . 0.0 109.416 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.683 HH21 ' N ' ' A' ' 19' ' ' GLU . 13.3 mtm180 -43.25 -35.3 1.4 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.279 -0.888 . . . . 0.0 109.192 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 20' ' ' GLU . 7.0 t0 -59.93 -48.05 83.28 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.355 -0.841 . . . . 0.0 109.358 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.468 ' O ' ' C ' ' A' ' 25' ' ' ILE . 54.4 mt -66.69 -59.68 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.271 -0.893 . . . . 0.0 109.317 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.494 ' N ' HD13 ' A' ' 25' ' ' ILE . 5.4 mm -40.53 -51.03 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.202 -0.936 . . . . 0.0 109.266 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -52.86 -50.82 63.03 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.234 -0.916 . . . . 0.0 109.481 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.507 ' O ' ' OD1' ' A' ' 31' ' ' ASP . . . -59.46 -69.28 0.21 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.203 -0.936 . . . . 0.0 109.463 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.502 ' C ' ' O ' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -36.93 -36.4 0.12 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.324 -0.86 . . . . 0.0 109.314 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' ALA . 1.6 mp -71.49 -46.81 58.81 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.277 -0.889 . . . . 0.0 109.375 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 27' ' ' ALA . 4.5 tt0 -62.89 -32.44 73.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.303 -0.873 . . . . 0.0 109.361 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.662 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -64.72 -29.91 70.9 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.331 -0.856 . . . . 0.0 109.552 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.95 21.91 6.84 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.461 -1.455 . . . . 0.0 109.461 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m -55.86 -170.98 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.295 -1.12 . . . . 0.0 109.576 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -143.96 87.6 7.96 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.295 -0.878 . . . . 0.0 109.52 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.437 ' C ' ' H ' ' A' ' 37' ' ' ALA . 52.3 Cg_exo -51.56 -34.64 53.15 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.968 2.445 . . . . 0.0 112.423 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -71.74 11.55 0.49 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.139 -0.976 . . . . 0.0 109.733 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.437 ' H ' ' C ' ' A' ' 35' ' ' PRO . . . -109.7 13.82 23.58 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.157 -0.965 . . . . 0.0 109.646 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 64.6 143.48 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.226 -0.922 . . . . 0.0 109.435 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -131.44 150.5 52.13 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.211 -0.93 . . . . 0.0 109.478 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -104.99 120.18 40.83 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.309 -0.87 . . . . 0.0 109.208 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.401 ' N ' HD13 ' A' ' 41' ' ' ILE . 4.8 mm -93.22 137.98 21.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.195 -0.941 . . . . 0.0 109.542 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.32 137.01 52.13 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.21 -0.931 . . . . 0.0 109.402 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.404 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 32.9 m-70 -129.57 126.36 38.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.23 -0.919 . . . . 0.0 109.594 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -106.05 113.78 27.53 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.276 -0.89 . . . . 0.0 109.403 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.488 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 1.4 mp -118.91 148.12 43.27 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.229 -0.919 . . . . 0.0 109.567 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.508 ' CD1' ' N ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -133.43 159.77 39.37 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.362 -0.836 . . . . 0.0 109.425 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.544 ' HB2' HG22 ' A' ' 113' ' ' ILE . . . -142.49 160.42 40.32 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.308 -0.87 . . . . 0.0 109.609 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.522 ' OE2' ' ND2' ' A' ' 79' ' ' ASN . 3.5 tp10 -97.81 -12.46 22.18 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.281 -0.887 . . . . 0.0 109.368 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -117.9 124.41 48.21 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.272 -0.893 . . . . 0.0 109.421 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.751 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -59.92 -28.99 68.07 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.212 -0.93 . . . . 0.0 109.307 179.861 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.86 -45.72 49.3 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.331 -0.856 . . . . 0.0 109.099 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -19.91 66.2 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.326 -0.859 . . . . 0.0 108.915 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.469 ' C ' HD23 ' A' ' 53' ' ' LEU . 8.6 tt -74.99 -53.43 8.95 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.409 -0.807 . . . . 0.0 109.363 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -61.91 -36.41 81.27 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.339 -0.85 . . . . 0.0 109.562 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -63.97 -64.45 0.89 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.267 -0.896 . . . . 0.0 109.728 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.48 -50.35 72.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.254 -0.904 . . . . 0.0 109.789 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.645 ' HB1' HG21 ' A' ' 67' ' ' VAL . . . -53.52 -45.97 69.96 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.213 -0.93 . . . . 0.0 109.586 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.511 HG12 ' N ' ' A' ' 59' ' ' GLU . 2.3 t -52.63 -62.49 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.25 -0.906 . . . . 0.0 109.538 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.511 ' N ' HG12 ' A' ' 58' ' ' VAL . 3.2 tt0 -50.01 -25.05 3.0 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.206 -0.934 . . . . 0.0 109.618 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 57' ' ' ALA . . . -71.65 -49.24 41.79 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.22 -0.925 . . . . 0.0 109.67 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.603 ' CD1' ' C ' ' A' ' 61' ' ' PHE . 1.5 t80 -63.75 -32.58 74.13 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.276 -0.89 . . . . 0.0 109.615 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -69.46 -33.53 73.04 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.157 -0.964 . . . . 0.0 109.59 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 8.1 mtm -72.13 -47.11 53.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.295 -0.878 . . . . 0.0 109.591 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 146.62 15.23 0.16 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 67' ' ' VAL . 77.5 m-85 -97.01 112.38 24.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.26 -1.141 . . . . 0.0 109.422 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -59.45 84.63 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.272 -0.892 . . . . 0.0 109.406 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.645 HG21 ' HB1' ' A' ' 57' ' ' ALA . 5.0 p -63.1 137.55 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.398 -0.813 . . . . 0.0 109.655 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.63 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.5 OUTLIER -114.81 139.88 49.38 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.211 -0.93 . . . . 0.0 109.252 179.668 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.546 ' CD ' ' H ' ' A' ' 70' ' ' ALA . 15.7 tp10 -47.83 150.88 0.99 Allowed 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.263 -0.898 . . . . 0.0 109.412 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.546 ' H ' ' CD ' ' A' ' 69' ' ' GLU . . . -102.61 162.91 12.55 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.253 -0.904 . . . . 0.0 109.66 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -125.13 139.56 53.66 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.397 -0.814 . . . . 0.0 109.165 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.578 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 1.1 pm0 -61.12 121.73 13.22 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.285 -0.884 . . . . 0.0 109.681 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.5 t -126.53 -165.61 1.47 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.225 -0.922 . . . . 0.0 109.263 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -140.82 138.32 33.95 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.124 -0.985 . . . . 0.0 109.614 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.643 ' OD1' ' N ' ' A' ' 78' ' ' GLY . 43.1 p-10 -91.58 -174.61 3.93 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.274 -0.891 . . . . 0.0 109.261 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -75.06 30.05 0.09 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.21 -0.931 . . . . 0.0 109.417 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.479 ' H ' ' C ' ' A' ' 75' ' ' ASP . 9.5 t0 -147.41 -49.08 0.18 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.246 -0.909 . . . . 0.0 109.484 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.643 ' N ' ' OD1' ' A' ' 75' ' ' ASP . . . 118.04 54.93 0.29 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.522 ' ND2' ' OE2' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -101.96 -1.19 32.46 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.247 -1.149 . . . . 0.0 109.62 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' A' ' 79' ' ' ASN . 0.0 OUTLIER 45.32 95.1 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.135 -0.978 . . . . 0.0 109.379 179.876 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.919 ' H ' HD12 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -129.46 165.47 21.54 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.206 -0.934 . . . . 0.0 109.644 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.674 ' N ' HD12 ' A' ' 82' ' ' LEU . 8.1 mp -107.55 139.89 41.39 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.317 -0.864 . . . . 0.0 109.419 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.468 ' N ' ' HB1' ' A' ' 70' ' ' ALA . 2.3 t -125.45 107.73 10.95 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.254 -0.903 . . . . 0.0 109.832 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.625 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.8 OUTLIER -93.27 151.33 19.87 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.29 -0.881 . . . . 0.0 108.985 179.393 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.63 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -103.79 150.6 23.95 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.117 -0.989 . . . . 0.0 109.702 -179.735 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.404 ' HB3' ' HB2' ' A' ' 43' ' ' HIS . . . -130.24 140.15 50.73 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.399 -0.813 . . . . 0.0 109.427 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.9 143.74 50.69 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.232 -0.917 . . . . 0.0 109.537 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.13 115.76 5.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.222 -0.924 . . . . 0.0 109.518 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -76.09 133.77 40.2 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.224 -0.923 . . . . 0.0 109.416 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.3 p -167.58 161.73 13.83 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.157 -0.965 . . . . 0.0 109.485 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.83 133.74 49.72 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.209 -0.932 . . . . 0.0 109.467 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.48 85.01 0.1 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.23 -0.919 . . . . 0.0 109.382 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.24 126.4 31.46 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.173 -0.954 . . . . 0.0 109.525 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -46.0 -59.82 2.63 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.201 -0.937 . . . . 0.0 109.463 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 94' ' ' ALA . 2.0 mmtp -44.57 -48.53 10.31 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.257 -0.902 . . . . 0.0 109.494 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 mp -58.5 -55.77 30.8 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.173 -0.955 . . . . 0.0 109.645 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.432 ' O ' HG23 ' A' ' 101' ' ' VAL . 56.6 mt -57.14 -23.05 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.295 -0.878 . . . . 0.0 109.774 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -67.96 -54.83 15.61 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.137 -0.977 . . . . 0.0 109.392 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -67.68 -35.83 79.56 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.204 -0.935 . . . . 0.0 109.455 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.18 -50.94 71.68 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.242 -0.911 . . . . 0.0 109.438 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.571 HG13 ' CE2' ' A' ' 115' ' ' TYR . 91.4 t -64.24 -44.42 97.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.325 -0.86 . . . . 0.0 109.617 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -56.47 -29.31 61.59 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.185 -0.947 . . . . 0.0 109.468 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -72.6 -46.84 52.28 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.238 -0.914 . . . . 0.0 109.54 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 104' ' ' LEU . 96.7 mt -67.97 -38.82 83.21 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.186 -0.946 . . . . 0.0 109.506 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.3 t -66.75 -36.88 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.263 -0.898 . . . . 0.0 109.23 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -65.66 -59.14 4.23 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.22 -0.925 . . . . 0.0 109.29 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.44 ' CD1' ' OE2' ' A' ' 59' ' ' GLU . 1.6 tp -57.99 -35.91 71.89 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.286 -0.884 . . . . 0.0 109.142 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.06 -58.22 6.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.29 -0.881 . . . . 0.0 109.735 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.84 -19.41 62.56 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.213 -0.929 . . . . 0.0 109.782 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -82.11 -23.81 35.48 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.202 -0.936 . . . . 0.0 109.679 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.558 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 0.6 OUTLIER -99.31 -77.34 0.52 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.108 -0.995 . . . . 0.0 109.879 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.558 ' OD1' ' O ' ' A' ' 111' ' ' PHE . 3.2 m-20 162.49 36.9 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.104 -0.997 . . . . 0.0 109.55 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.544 HG22 ' HB2' ' A' ' 47' ' ' ALA . 16.7 pt -120.46 172.8 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.302 -0.874 . . . . 0.0 109.189 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.5 tt -112.89 135.01 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.158 -0.964 . . . . 0.0 109.519 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.641 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 20.4 t80 -106.93 89.61 3.05 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.198 -0.939 . . . . 0.0 109.412 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -146.2 78.19 1.51 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.24 -0.912 . . . . 0.0 109.55 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 170.48 62.66 0.04 OUTLIER Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.908 -1.277 . . . . 0.0 109.908 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.672 ' CE3' ' N ' ' A' ' 119' ' ' GLY . 2.3 p-90 -112.41 164.85 12.77 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.159 -1.201 . . . . 0.0 109.165 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.672 ' N ' ' CE3' ' A' ' 118' ' ' TRP . . . 168.5 159.61 14.52 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -116.18 166.11 12.4 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.36 -1.082 . . . . 0.0 109.372 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.5 OUTLIER -126.77 158.01 37.66 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.187 -0.945 . . . . 0.0 109.468 179.823 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.476 ' O ' ' C ' ' A' ' 123' ' ' GLU . 9.8 m-85 -65.07 77.43 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.218 -0.926 . . . . 0.0 109.681 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.561 ' O ' ' O ' ' A' ' 124' ' ' GLY . 20.2 tt0 40.12 55.51 2.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.229 -0.92 . . . . 0.0 109.671 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.561 ' O ' ' O ' ' A' ' 123' ' ' GLU . . . 57.41 136.95 0.01 OUTLIER Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 13.3 tp -174.53 120.53 0.24 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.26 -1.141 . . . . 0.0 109.472 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -142.56 79.12 1.64 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.243 -0.91 . . . . 0.0 109.501 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -174.7 68.77 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.32 -0.862 . . . . 0.0 109.229 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.82 -167.37 2.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.333 -0.854 . . . . 0.0 109.476 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.468 ' ND1' ' N ' ' A' ' 129' ' ' HIS . 0.5 OUTLIER -97.52 -155.69 0.5 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.311 -0.868 . . . . 0.0 109.381 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.489 ' CG ' ' O ' ' A' ' 130' ' ' HIS . 3.5 t60 -167.07 -0.57 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.2 -0.938 . . . . 0.0 109.593 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -80.92 93.45 6.31 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.215 -0.928 . . . . 0.0 109.443 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 12.8 p-80 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 118.039 -0.982 . . . . 0.0 109.438 -179.893 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.577 ' O ' ' O ' ' A' ' 2' ' ' SER . 7.1 tpp . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.577 ' O ' ' O ' ' A' ' 1' ' ' MET . 0.7 OUTLIER -55.89 -147.0 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.294 -0.879 . . . . 0.0 109.53 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -103.12 138.44 39.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.168 -0.957 . . . . 0.0 109.482 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.479 ' C ' ' CG ' ' A' ' 5' ' ' ASP . 0.5 OUTLIER -102.95 -84.28 0.46 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.331 -0.856 . . . . 0.0 109.451 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.555 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 0.0 OUTLIER 175.23 -70.79 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.238 -0.913 . . . . 0.0 109.302 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.41 136.49 33.84 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.222 -0.924 . . . . 0.0 109.368 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -87.26 135.02 33.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.27 -0.894 . . . . 0.0 109.538 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 mt 59.63 166.57 0.06 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.277 -0.889 . . . . 0.0 109.669 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.576 ' O ' ' N ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -173.8 -73.94 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.32 -0.862 . . . . 0.0 109.315 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.462 ' C ' ' O ' ' A' ' 9' ' ' SER . 91.6 t -41.47 -27.42 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.265 -0.897 . . . . 0.0 109.424 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 9' ' ' SER . 5.9 tp10 -74.43 -30.59 61.96 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.257 -0.902 . . . . 0.0 109.408 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.576 ' N ' ' O ' ' A' ' 9' ' ' SER . 5.4 mm-40 -68.46 -43.6 76.65 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.321 -0.862 . . . . 0.0 109.386 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.414 ' HB3' ' NE2' ' A' ' 17' ' ' GLN . 30.0 mt -63.78 -62.14 1.84 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.39 -0.819 . . . . 0.0 109.552 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 27.8 mt -49.84 -51.83 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.241 -0.912 . . . . 0.0 109.771 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -44.54 -64.31 0.72 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.305 -0.872 . . . . 0.0 109.948 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.526 ' O ' ' C ' ' A' ' 17' ' ' GLN . 72.1 mt -59.72 -59.9 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.162 -0.961 . . . . 0.0 109.735 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.526 ' C ' ' O ' ' A' ' 16' ' ' ILE . 29.6 mt-30 -35.96 -35.28 0.06 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.187 -0.946 . . . . 0.0 109.571 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.5 ' O ' ' C ' ' A' ' 19' ' ' GLU . 62.9 mttt -72.24 -67.85 0.51 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.267 -0.896 . . . . 0.0 109.29 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.5 ' C ' ' O ' ' A' ' 18' ' ' LYS . 5.8 mt-10 -39.66 -35.77 0.35 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.225 -0.922 . . . . 0.0 109.187 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 23' ' ' ASP . 12.2 mm-40 -67.8 -64.96 0.75 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.363 -0.836 . . . . 0.0 109.314 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.507 ' C ' ' O ' ' A' ' 20' ' ' GLU . 32.0 m -37.56 -46.29 0.83 Allowed 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.255 -0.903 . . . . 0.0 109.208 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.7 ' CG ' HH11 ' A' ' 22' ' ' ARG . 0.7 OUTLIER -59.71 -40.31 87.55 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.248 -0.908 . . . . 0.0 109.362 179.823 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.556 ' N ' ' O ' ' A' ' 20' ' ' GLU . 22.4 t0 -61.07 -44.49 97.29 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.313 -0.867 . . . . 0.0 109.281 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 70.9 mt -67.13 -64.25 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.254 -0.904 . . . . 0.0 109.378 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.401 HD13 HG22 ' A' ' 21' ' ' THR . 1.6 mp -46.28 -37.71 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.247 -0.908 . . . . 0.0 109.274 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.551 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 13.6 mm-40 -61.43 -42.9 99.47 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.284 -0.885 . . . . 0.0 109.38 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.16 -50.78 64.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.34 -0.85 . . . . 0.0 109.399 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.483 HD22 ' OH ' ' A' ' 39' ' ' TYR . 15.4 mt -54.16 -62.02 1.93 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.218 -0.926 . . . . 0.0 109.341 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' A' ' 29' ' ' LEU . 3.7 mm? -48.65 -50.01 34.88 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.152 -0.967 . . . . 0.0 109.017 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.562 ' OE2' ' O ' ' A' ' 30' ' ' GLU . 6.5 tp10 -51.61 -40.58 60.13 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.312 -0.868 . . . . 0.0 109.27 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.22 -48.49 81.26 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.295 -0.878 . . . . 0.0 109.441 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 131.5 14.7 1.7 Allowed Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.1 164.31 26.78 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.195 -1.18 . . . . 0.0 109.439 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.31 156.06 80.55 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.144 -0.972 . . . . 0.0 109.68 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -70.36 4.61 2.35 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.884 2.389 . . . . 0.0 111.966 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 36' ' ' ASP . 0.7 OUTLIER -92.03 -6.63 50.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.29 -0.881 . . . . 0.0 109.559 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -98.99 11.88 37.65 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.246 -0.909 . . . . 0.0 109.687 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 38' ' ' LEU . 3.8 mm? 54.43 171.6 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.123 -0.986 . . . . 0.0 109.542 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.573 ' CZ ' ' CD ' ' A' ' 123' ' ' GLU . 1.5 m-85 -154.28 150.61 28.19 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.204 -0.935 . . . . 0.0 109.412 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.605 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 4.6 mp0 -104.7 119.93 40.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.202 -0.936 . . . . 0.0 109.72 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.649 HD12 ' N ' ' A' ' 41' ' ' ILE . 2.0 mp -106.27 128.08 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.337 -0.852 . . . . 0.0 109.139 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -116.76 135.54 53.67 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.121 -0.987 . . . . 0.0 109.875 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.47 ' ND1' ' HB2' ' A' ' 118' ' ' TRP . 90.3 m-70 -116.89 149.63 39.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.335 -0.853 . . . . 0.0 109.152 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 44.3 m170 -118.02 131.67 56.45 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.21 -0.931 . . . . 0.0 109.811 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.888 ' N ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -141.66 132.65 26.05 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.289 -0.882 . . . . 0.0 109.365 179.761 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.74 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -125.45 163.58 22.34 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.206 -0.934 . . . . 0.0 109.475 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.557 ' HB1' ' HE2' ' A' ' 52' ' ' LYS . . . -150.12 166.61 29.27 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.259 -0.9 . . . . 0.0 109.573 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -103.63 -34.0 8.78 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.243 -0.911 . . . . 0.0 109.404 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.557 ' H ' ' HZ1' ' A' ' 52' ' ' LYS . 92.3 m-20 -99.53 109.73 22.24 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.352 -0.843 . . . . 0.0 109.318 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -50.31 -22.8 1.95 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.216 -0.928 . . . . 0.0 109.678 -179.81 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -60.04 -67.36 0.4 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.144 -0.972 . . . . 0.0 109.67 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.557 ' HE2' ' HB1' ' A' ' 47' ' ' ALA . 5.5 pttt -60.92 -32.56 72.04 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.256 -0.902 . . . . 0.0 109.814 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.512 HD12 ' HB3' ' A' ' 47' ' ' ALA . 7.3 tt -55.4 -43.95 75.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.301 -0.874 . . . . 0.0 109.79 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.09 -46.73 61.23 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.136 -0.978 . . . . 0.0 109.766 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 111' ' ' PHE . 7.4 mtpp -57.29 -43.26 83.02 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.217 -0.927 . . . . 0.0 109.829 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.39 -37.61 80.55 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.195 -0.941 . . . . 0.0 109.904 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.85 -49.28 68.73 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.133 -0.98 . . . . 0.0 109.67 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.5 t -53.69 -61.78 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.262 -0.899 . . . . 0.0 109.621 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -47.07 -45.14 21.61 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.284 -0.885 . . . . 0.0 109.66 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.419 ' HA ' ' SD ' ' A' ' 63' ' ' MET . . . -57.72 -45.22 86.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.175 -0.953 . . . . 0.0 109.497 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 61' ' ' PHE . 21.8 t80 -55.84 -41.31 74.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.239 -0.913 . . . . 0.0 109.55 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.6 tttm -74.78 -24.43 58.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.235 -0.916 . . . . 0.0 109.459 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.419 ' SD ' ' HA ' ' A' ' 60' ' ' ALA . 19.8 mtp -75.19 -42.86 54.78 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.265 -0.897 . . . . 0.0 109.494 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.69 ' O ' ' CG ' ' A' ' 65' ' ' PHE . . . 133.9 75.27 0.09 OUTLIER Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.69 ' CG ' ' O ' ' A' ' 64' ' ' GLY . 97.3 m-85 -164.23 108.37 0.96 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.235 -1.156 . . . . 0.0 109.527 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 87' ' ' THR . 2.7 mm-40 -58.03 85.11 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.149 -0.969 . . . . 0.0 109.194 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.509 ' N ' ' O ' ' A' ' 65' ' ' PHE . 2.1 p -60.91 140.2 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.27 -0.894 . . . . 0.0 109.967 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 tp -119.84 146.02 46.11 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.318 -0.864 . . . . 0.0 109.256 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.456 ' HG3' ' H ' ' A' ' 70' ' ' ALA . 6.5 tt0 -48.02 158.9 0.21 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.288 -0.883 . . . . 0.0 109.836 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.608 ' HB1' ' H ' ' A' ' 83' ' ' CYS . . . -100.48 169.67 8.92 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.392 -0.817 . . . . 0.0 109.385 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.543 ' O ' ' C ' ' A' ' 72' ' ' GLU . 4.5 tt0 -135.65 109.62 8.2 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.282 -0.886 . . . . 0.0 109.575 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.547 ' CD ' ' O ' ' A' ' 72' ' ' GLU . 1.4 pp20? -35.55 112.32 0.16 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.396 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.671 ' OG1' ' N ' ' A' ' 74' ' ' GLU . 0.7 OUTLIER -125.28 -133.52 0.26 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.173 -0.954 . . . . 0.0 109.529 -179.817 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.671 ' N ' ' OG1' ' A' ' 73' ' ' THR . 2.0 pt-20 -170.59 135.38 1.16 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.234 -0.916 . . . . 0.0 109.491 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 74' ' ' GLU . 2.8 m-20 -50.87 -95.76 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.239 -0.913 . . . . 0.0 109.375 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.493 ' O ' ' OD1' ' A' ' 77' ' ' ASP . 1.3 tt0 -141.66 26.61 1.91 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.174 -0.954 . . . . 0.0 109.451 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.493 ' OD1' ' O ' ' A' ' 76' ' ' GLU . 85.2 m-20 -137.19 -51.51 0.66 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.256 -0.902 . . . . 0.0 109.43 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 149.97 41.8 0.03 OUTLIER Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.97 159.37 15.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.198 -1.178 . . . . 0.0 109.399 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -104.18 103.06 12.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.121 -0.987 . . . . 0.0 109.55 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 pp -127.77 168.81 14.61 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.209 -0.932 . . . . 0.0 109.477 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 82' ' ' LEU . 4.9 mp -101.76 137.89 39.46 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.249 -0.907 . . . . 0.0 109.638 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.608 ' H ' ' HB1' ' A' ' 70' ' ' ALA . 0.1 OUTLIER -135.68 99.89 4.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.319 -0.863 . . . . 0.0 109.563 -179.849 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.556 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 2.0 p90 -91.53 159.55 15.87 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.069 -1.02 . . . . 0.0 109.179 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -111.07 168.38 9.54 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.169 -0.957 . . . . 0.0 109.983 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.69 ' HB1' ' HB3' ' A' ' 65' ' ' PHE . . . -142.47 115.18 8.62 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.427 -0.796 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -98.8 153.52 18.7 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.276 -0.89 . . . . 0.0 109.461 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.4 tpt -156.88 103.4 2.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.255 -0.903 . . . . 0.0 109.424 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.53 ' NE2' ' HG3' ' A' ' 40' ' ' GLU . 4.1 tp60 -70.35 120.41 15.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.257 -0.902 . . . . 0.0 109.281 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 91' ' ' ALA . 1.0 OUTLIER -155.2 155.02 33.15 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.186 -0.946 . . . . 0.0 109.603 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 90' ' ' SER . . . -53.32 -173.36 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.193 -0.942 . . . . 0.0 109.382 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 39' ' ' TYR . 4.1 tp -113.02 110.13 19.98 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.284 -0.885 . . . . 0.0 109.53 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -159.36 122.94 3.74 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.236 -0.915 . . . . 0.0 109.463 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.8 -45.15 67.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.314 -0.866 . . . . 0.0 109.385 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.594 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.8 OUTLIER -57.06 -67.77 0.29 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.223 -0.923 . . . . 0.0 109.455 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.465 HD22 ' HA ' ' A' ' 96' ' ' LEU . 0.2 OUTLIER -41.76 -50.36 4.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.206 -0.934 . . . . 0.0 109.374 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 45.6 mt -62.92 -20.58 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.333 -0.855 . . . . 0.0 109.545 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.594 ' N ' ' O ' ' A' ' 95' ' ' LYS . 33.0 t0 -72.92 -39.6 66.15 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.187 -0.946 . . . . 0.0 109.378 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.63 -45.76 28.7 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.256 -0.902 . . . . 0.0 109.266 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -54.25 -50.31 67.51 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.245 -0.909 . . . . 0.0 109.225 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.481 ' O ' ' C ' ' A' ' 102' ' ' GLU . 70.9 t -61.87 -58.82 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.322 -0.862 . . . . 0.0 109.121 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.587 ' OE2' ' ND2' ' A' ' 106' ' ' ASN . 1.5 tm-20 -41.06 -41.52 1.73 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.258 -0.901 . . . . 0.0 109.098 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -62.06 -43.32 99.09 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.276 -0.89 . . . . 0.0 109.262 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.456 ' HA ' HD23 ' A' ' 104' ' ' LEU . 21.9 mt -64.16 -63.78 1.06 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.304 -0.872 . . . . 0.0 109.278 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.2 t -44.74 -36.85 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.31 -0.869 . . . . 0.0 109.501 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.587 ' ND2' ' OE2' ' A' ' 102' ' ' GLU . 11.3 m-80 -63.34 -51.15 67.14 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.247 -0.908 . . . . 0.0 109.461 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 110' ' ' LYS . 15.7 tp -66.14 -53.31 39.34 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.257 -0.902 . . . . 0.0 109.406 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 107' ' ' LEU . . . -44.98 -44.08 9.58 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.298 -0.876 . . . . 0.0 109.576 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -79.01 -16.86 56.31 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.301 -0.875 . . . . 0.0 109.562 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 107' ' ' LEU . 2.6 tmtm? -75.25 -26.79 59.14 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.293 -0.879 . . . . 0.0 109.768 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 55' ' ' LYS . 5.5 m-85 -100.44 -77.41 0.53 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.1 -1.0 . . . . 0.0 109.776 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.473 ' CG ' ' O ' ' A' ' 111' ' ' PHE . 0.9 OUTLIER 167.23 34.13 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.971 -1.08 . . . . 0.0 109.921 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.7 pt -118.28 167.92 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.052 -1.03 . . . . 0.0 109.519 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -112.78 101.14 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.321 -0.862 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.594 ' C ' ' CD1' ' A' ' 115' ' ' TYR . 0.2 OUTLIER -91.72 113.53 25.82 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.347 -0.846 . . . . 0.0 109.486 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.576 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 12.2 p-10 -160.84 80.03 0.63 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.233 -0.917 . . . . 0.0 109.424 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 170.87 84.61 0.06 OUTLIER Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.47 ' HB2' ' ND1' ' A' ' 43' ' ' HIS . 8.8 p-90 -120.0 151.02 39.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.242 -1.152 . . . . 0.0 109.549 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -164.26 159.86 32.78 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.536 ' OG1' ' O ' ' A' ' 40' ' ' GLU . 2.3 t -133.47 167.33 20.63 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.128 -1.219 . . . . 0.0 109.586 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.524 ' CD1' ' N ' ' A' ' 121' ' ' TYR . 10.4 m-85 -109.73 158.27 18.28 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.241 -0.912 . . . . 0.0 109.432 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.682 ' CE2' ' O ' ' A' ' 123' ' ' GLU . 57.1 t80 -68.16 179.9 1.43 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.211 -0.931 . . . . 0.0 109.215 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.682 ' O ' ' CE2' ' A' ' 122' ' ' TYR . 1.6 mp0 -102.75 134.93 45.33 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.25 -0.906 . . . . 0.0 109.46 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 59.76 95.54 0.01 OUTLIER Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.431 -1.467 . . . . 0.0 109.431 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.52 HD23 ' N ' ' A' ' 125' ' ' LEU . 0.1 OUTLIER -126.17 100.43 6.32 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.223 -1.163 . . . . 0.0 109.558 -179.74 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -50.76 103.67 0.06 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.247 -0.908 . . . . 0.0 109.219 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -160.94 28.86 0.14 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.245 -0.909 . . . . 0.0 109.611 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.658 ' O ' ' ND1' ' A' ' 129' ' ' HIS . 3.9 t-80 -145.02 -163.54 1.73 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.257 -0.902 . . . . 0.0 109.439 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.658 ' ND1' ' O ' ' A' ' 128' ' ' HIS . 0.6 OUTLIER 41.21 63.62 1.18 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.086 -1.009 . . . . 0.0 109.282 -179.892 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -138.33 146.47 42.41 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.219 -0.926 . . . . 0.0 109.624 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.47 ' HB2' ' CE1' ' A' ' 132' ' ' HIS . 14.8 m80 -58.38 -80.37 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.322 -0.861 . . . . 0.0 109.419 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.659 ' ND1' ' N ' ' A' ' 132' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 118.053 -0.975 . . . . 0.0 109.43 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mmt . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.604 ' OG ' ' N ' ' A' ' 3' ' ' HIS . 12.4 t -96.29 -160.46 0.8 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.29 -0.881 . . . . 0.0 109.396 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.604 ' N ' ' OG ' ' A' ' 2' ' ' SER . 1.1 t60 -108.23 138.44 44.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.213 -0.929 . . . . 0.0 109.419 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.622 ' C ' ' H ' ' A' ' 6' ' ' ASP . 1.8 pt20 -157.44 -8.71 0.09 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.279 -0.888 . . . . 0.0 109.556 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' A' ' 6' ' ' ASP . 5.2 t70 -62.75 12.93 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.294 -0.879 . . . . 0.0 109.442 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.622 ' H ' ' C ' ' A' ' 4' ' ' GLN . 4.4 m-20 -143.79 -39.35 0.3 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.184 -0.947 . . . . 0.0 109.589 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -95.05 62.12 2.54 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.245 -0.909 . . . . 0.0 109.813 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.4 mt -66.28 -165.42 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.143 -0.973 . . . . 0.0 109.189 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.3 m -168.62 86.78 0.19 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.198 -0.939 . . . . 0.0 109.468 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.2 m -51.74 -33.98 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.254 -0.904 . . . . 0.0 109.343 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -47.47 -37.98 12.81 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.366 -0.834 . . . . 0.0 109.708 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.51 ' O ' ' C ' ' A' ' 13' ' ' LEU . 2.7 mm-40 -74.83 -65.76 0.83 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.16 -0.963 . . . . 0.0 109.511 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.51 ' C ' ' O ' ' A' ' 12' ' ' GLU . 1.4 mt -37.25 -37.46 0.18 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.269 -0.894 . . . . 0.0 109.712 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.0 mt -68.9 -55.49 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.151 -0.968 . . . . 0.0 109.58 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.43 -53.87 39.62 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.24 -0.913 . . . . 0.0 109.492 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 67.3 mt -48.61 -58.91 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.25 -0.906 . . . . 0.0 109.788 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.457 ' O ' ' C ' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -51.14 -53.37 35.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.321 -0.862 . . . . 0.0 109.707 -179.614 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 17' ' ' GLN . 14.3 mtmt -40.66 -50.02 3.04 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.207 -0.933 . . . . 0.0 109.982 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -72.46 -49.98 29.45 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.224 -0.922 . . . . 0.0 110.006 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -49.75 -60.09 3.21 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.167 -0.958 . . . . 0.0 109.891 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.535 ' O ' ' N ' ' A' ' 24' ' ' ILE . 5.5 m -53.0 -60.43 3.29 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.233 -0.917 . . . . 0.0 109.656 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.532 ' C ' ' O ' ' A' ' 21' ' ' THR . 6.6 mmm180 -35.89 -45.99 0.44 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.154 -0.966 . . . . 0.0 109.528 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -61.49 -42.48 98.85 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.253 -0.904 . . . . 0.0 109.383 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.535 ' N ' ' O ' ' A' ' 21' ' ' THR . 27.8 mt -66.39 -66.92 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.293 -0.879 . . . . 0.0 109.566 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.52 HG12 HG22 ' A' ' 21' ' ' THR . 12.2 mm -44.09 -33.3 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.152 -0.968 . . . . 0.0 109.488 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 14.6 mm-40 -69.19 -61.25 1.87 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.276 -0.89 . . . . 0.0 109.394 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.71 -49.61 19.2 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.282 -0.886 . . . . 0.0 109.447 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.523 ' O ' ' C ' ' A' ' 29' ' ' LEU . 5.0 mp -59.05 -70.82 0.14 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.23 -0.919 . . . . 0.0 109.442 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.523 ' C ' ' O ' ' A' ' 28' ' ' LEU . 15.1 mt -36.53 -53.35 0.87 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.256 -0.903 . . . . 0.0 109.523 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -53.35 -41.3 65.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.276 -0.89 . . . . 0.0 109.635 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 28' ' ' LEU . 2.1 t0 -56.56 -27.98 59.04 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.208 -0.932 . . . . 0.0 109.508 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.36 -1.8 16.26 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.484 ' HG ' ' HH ' ' A' ' 39' ' ' TYR . 2.8 t -72.98 114.44 11.13 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.307 -1.114 . . . . 0.0 109.42 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.82 153.21 39.48 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.199 -0.938 . . . . 0.0 109.418 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.479 ' HB3' ' H ' ' A' ' 92' ' ' LEU . 19.6 Cg_endo -61.59 -21.07 71.12 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.837 2.358 . . . . 0.0 112.213 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -57.08 -5.22 0.24 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.307 -0.871 . . . . 0.0 109.461 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.487 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -109.7 14.92 23.13 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.282 -0.886 . . . . 0.0 109.345 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.487 ' O ' ' O ' ' A' ' 37' ' ' ALA . 3.1 mt 55.9 160.43 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.288 -0.882 . . . . 0.0 109.729 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.672 ' CZ ' ' OE2' ' A' ' 123' ' ' GLU . 1.4 m-85 -154.64 147.26 24.2 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.327 -0.858 . . . . 0.0 109.202 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -108.73 143.9 37.24 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.188 -0.945 . . . . 0.0 109.72 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 42' ' ' GLU . 4.6 mp -126.15 160.42 33.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.338 -0.851 . . . . 0.0 109.282 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.504 ' N ' HG22 ' A' ' 41' ' ' ILE . 85.9 tt0 -142.68 136.58 29.18 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.127 -0.983 . . . . 0.0 109.698 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -115.62 150.73 36.22 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.288 -0.883 . . . . 0.0 109.329 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -119.0 120.23 36.62 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.259 -0.901 . . . . 0.0 109.322 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.484 ' HB2' ' CE2' ' A' ' 84' ' ' PHE . 1.5 mp -128.3 140.38 51.91 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.2 -0.938 . . . . 0.0 109.629 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.578 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -130.88 155.15 47.23 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.275 -0.891 . . . . 0.0 109.503 179.805 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.537 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -135.42 179.14 6.51 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.324 -0.86 . . . . 0.0 109.475 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -121.21 -15.89 8.07 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.227 -0.92 . . . . 0.0 109.561 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.545 ' O ' ' C ' ' A' ' 50' ' ' PHE . 7.9 t0 -113.63 103.86 11.66 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.21 -0.931 . . . . 0.0 109.484 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.545 ' C ' ' O ' ' A' ' 49' ' ' ASP . 0.3 OUTLIER -35.07 -44.8 0.25 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.243 -0.911 . . . . 0.0 109.655 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.05 -52.92 62.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.236 -0.915 . . . . 0.0 109.694 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.47 ' NZ ' ' OD2' ' A' ' 112' ' ' ASP . 0.6 OUTLIER -64.44 -16.8 63.05 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.28 -0.888 . . . . 0.0 109.601 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.537 HD12 ' HB3' ' A' ' 47' ' ' ALA . 4.0 tt -80.02 -59.97 2.52 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.231 -0.918 . . . . 0.0 109.568 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -60.6 -18.97 56.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.202 -0.936 . . . . 0.0 109.547 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -80.75 -49.94 10.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.172 -0.955 . . . . 0.0 109.469 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.43 -31.99 70.68 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.172 -0.955 . . . . 0.0 109.255 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.92 -58.35 5.16 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.346 -0.847 . . . . 0.0 109.343 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.1 t -49.48 -55.04 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.317 -0.864 . . . . 0.0 109.174 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -46.89 -44.66 19.88 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.328 -0.857 . . . . 0.0 109.228 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.1 -34.86 72.5 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.31 -0.869 . . . . 0.0 109.304 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.76 -40.21 76.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.314 -0.866 . . . . 0.0 109.242 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -58.82 -35.92 73.67 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.24 -0.913 . . . . 0.0 109.489 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.59 -59.48 3.91 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.244 -0.91 . . . . 0.0 109.573 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 159.35 11.57 0.04 OUTLIER Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.473 ' CE2' HD11 ' A' ' 104' ' ' LEU . 70.0 m-85 -92.14 137.42 32.38 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.261 -1.141 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.04 84.11 7.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.211 -0.931 . . . . 0.0 109.343 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.4 p -51.62 150.05 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.349 -0.844 . . . . 0.0 109.64 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.636 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.6 OUTLIER -128.12 141.33 51.52 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.337 -0.852 . . . . 0.0 109.212 179.724 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 68' ' ' LEU . 2.1 tt0 -40.43 144.5 0.23 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.308 -0.87 . . . . 0.0 109.858 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.72 179.95 5.08 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.411 -0.806 . . . . 0.0 109.308 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 73' ' ' THR . 20.4 tt0 -152.56 117.62 5.17 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.269 -0.895 . . . . 0.0 109.499 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 71' ' ' GLU . 2.9 mt-10 -44.3 100.17 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.232 -0.918 . . . . 0.0 109.419 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.445 ' C ' ' OE1' ' A' ' 74' ' ' GLU . 11.1 t -109.68 -160.08 0.7 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.248 -0.907 . . . . 0.0 109.344 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.445 ' OE1' ' C ' ' A' ' 73' ' ' THR . 1.0 OUTLIER -137.09 142.93 42.35 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.158 -0.964 . . . . 0.0 109.613 -179.908 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.461 ' C ' ' H ' ' A' ' 77' ' ' ASP . 11.6 t0 -113.6 45.22 1.46 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.382 -0.824 . . . . 0.0 109.435 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 57.57 5.25 0.3 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.269 -0.895 . . . . 0.0 109.412 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.461 ' H ' ' C ' ' A' ' 75' ' ' ASP . 0.3 OUTLIER -111.71 -9.15 14.13 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.234 -0.916 . . . . 0.0 109.315 179.824 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 57.52 82.56 0.06 OUTLIER Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.486 ' O ' ' C ' ' A' ' 80' ' ' LYS . 1.1 m120 -151.74 10.98 0.57 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.239 -1.153 . . . . 0.0 109.621 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 79' ' ' ASN . 1.8 mptp? 39.89 77.48 0.05 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.18 -0.95 . . . . 0.0 109.375 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.529 ' H ' HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -101.4 166.53 10.69 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.22 -0.925 . . . . 0.0 109.675 -179.868 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.511 ' N ' HD12 ' A' ' 82' ' ' LEU . 6.9 mp -105.26 127.76 53.1 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.245 -0.909 . . . . 0.0 109.227 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 9.9 t -126.33 113.2 16.61 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.313 -0.867 . . . . 0.0 110.012 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.658 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.3 OUTLIER -96.63 154.42 17.29 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.244 -0.91 . . . . 0.0 108.779 179.31 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.636 ' O ' ' N ' ' A' ' 68' ' ' LEU . 1.2 m-20 -108.52 149.25 29.09 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.125 -0.984 . . . . 0.0 110.152 -179.321 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.463 ' HB1' ' HB3' ' A' ' 65' ' ' PHE . . . -130.8 129.24 42.15 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.475 -0.766 . . . . 0.0 109.008 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.29 155.67 21.76 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.107 -0.996 . . . . 0.0 109.985 -179.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 6.0 ttm -151.57 120.5 6.63 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.509 -0.745 . . . . 0.0 109.155 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.97 127.48 39.78 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.283 -0.886 . . . . 0.0 109.546 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.472 ' OG ' ' N ' ' A' ' 91' ' ' ALA . 1.8 t -164.41 177.42 8.22 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.283 -0.886 . . . . 0.0 109.357 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.472 ' N ' ' OG ' ' A' ' 90' ' ' SER . . . -72.01 176.15 5.31 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.224 -0.923 . . . . 0.0 109.565 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.479 ' H ' ' HB3' ' A' ' 35' ' ' PRO . 6.5 tp -95.65 103.47 15.35 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.242 -0.911 . . . . 0.0 109.504 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -148.21 138.47 22.69 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.201 -0.937 . . . . 0.0 109.461 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.69 -45.7 18.49 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.24 -0.913 . . . . 0.0 109.846 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -50.98 -51.38 53.34 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.141 -0.974 . . . . 0.0 109.558 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 tp -63.06 -52.41 62.87 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.199 -0.938 . . . . 0.0 109.456 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 43.7 mt -51.97 -29.61 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.269 -0.894 . . . . 0.0 109.467 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -69.79 -44.92 69.08 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.188 -0.945 . . . . 0.0 109.355 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -69.24 -40.33 77.96 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.197 -0.939 . . . . 0.0 109.255 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 55.7 mm-40 -61.59 -52.26 65.12 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.33 -0.857 . . . . 0.0 109.281 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.421 ' O ' HG23 ' A' ' 105' ' ' VAL . 47.6 t -59.42 -49.25 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.301 -0.874 . . . . 0.0 109.231 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -57.45 -25.32 59.5 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.308 -0.87 . . . . 0.0 109.081 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.97 -52.3 17.8 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.361 -0.837 . . . . 0.0 109.308 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.473 HD11 ' CE2' ' A' ' 65' ' ' PHE . 28.5 mt -66.65 -29.84 69.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.307 -0.871 . . . . 0.0 109.457 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.509 HG22 ' CD2' ' A' ' 115' ' ' TYR . 54.7 t -64.86 -52.99 47.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.239 -0.913 . . . . 0.0 109.533 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -59.27 -40.56 86.46 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.174 -0.954 . . . . 0.0 109.539 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.67 -39.77 88.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.213 -0.93 . . . . 0.0 109.471 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.91 -63.52 1.27 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.261 -0.899 . . . . 0.0 109.432 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -59.27 -30.77 68.54 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.272 -0.892 . . . . 0.0 109.345 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -59.99 -33.22 71.68 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.23 -0.919 . . . . 0.0 109.528 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.489 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 10.2 m-85 -93.86 -76.84 0.47 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.222 -0.924 . . . . 0.0 109.594 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.5 OUTLIER 165.39 37.71 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.184 -0.948 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.8 pt -123.43 -179.9 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.331 -0.855 . . . . 0.0 109.521 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.795 HD12 ' N ' ' A' ' 115' ' ' TYR . 0.1 OUTLIER -123.09 120.78 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.295 -0.878 . . . . 0.0 109.556 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.795 ' N ' HD12 ' A' ' 114' ' ' ILE . 4.4 t80 -101.08 109.55 21.46 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.288 -0.882 . . . . 0.0 109.334 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -160.58 86.65 0.73 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.255 -0.903 . . . . 0.0 109.545 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 160.69 79.51 0.03 OUTLIER Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.491 ' CZ2' HG23 ' A' ' 21' ' ' THR . 5.6 p-90 -123.67 158.51 31.41 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.272 -1.134 . . . . 0.0 109.581 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.469 ' N ' ' CE3' ' A' ' 118' ' ' TRP . . . -176.25 177.55 47.79 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.04 157.99 43.95 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.114 -1.227 . . . . 0.0 109.541 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -93.01 131.0 38.39 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.235 -0.916 . . . . 0.0 109.566 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.628 ' CD1' ' N ' ' A' ' 123' ' ' GLU . 4.1 t80 -80.95 146.8 30.56 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.311 -0.868 . . . . 0.0 109.391 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.672 ' OE2' ' CZ ' ' A' ' 39' ' ' TYR . 2.2 mt-10 -68.32 -175.88 0.68 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.256 -0.902 . . . . 0.0 109.551 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 82.96 36.14 16.34 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.5 ' HA ' HD22 ' A' ' 125' ' ' LEU . 0.2 OUTLIER -100.86 91.02 4.41 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.217 -1.166 . . . . 0.0 109.324 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -59.49 127.18 30.78 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.228 -0.92 . . . . 0.0 109.679 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -91.5 -122.86 0.07 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.292 -0.88 . . . . 0.0 109.385 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 54.17 35.27 22.09 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.128 -0.982 . . . . 0.0 109.479 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 53.3 m-70 -68.84 -10.08 54.92 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.305 -0.872 . . . . 0.0 109.453 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 24.4 m80 -73.79 175.79 6.92 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.233 -0.917 . . . . 0.0 109.51 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -135.01 -42.67 0.73 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.259 -0.901 . . . . 0.0 109.487 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.565 ' OXT' ' CG ' ' A' ' 132' ' ' HIS . 16.9 p80 . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 118.001 -1.0 . . . . 0.0 109.478 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.401 ' C ' ' OG ' ' A' ' 2' ' ' SER . 1.2 mpp? . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.401 ' OG ' ' C ' ' A' ' 1' ' ' MET . 0.1 OUTLIER 49.43 33.94 6.12 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.254 -0.904 . . . . 0.0 109.404 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.47 -16.53 24.64 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.23 -0.919 . . . . 0.0 109.471 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 5' ' ' ASP . 19.4 mm-40 -64.99 -175.15 0.18 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.203 -0.936 . . . . 0.0 109.468 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 4' ' ' GLN . 74.6 m-20 43.78 -112.19 0.24 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.216 -0.928 . . . . 0.0 109.675 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.547 ' O ' ' C ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER 50.89 79.94 0.08 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.189 -0.944 . . . . 0.0 109.481 -179.823 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.547 ' C ' ' O ' ' A' ' 6' ' ' ASP . 0.0 OUTLIER -34.32 139.09 0.08 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.315 -0.865 . . . . 0.0 109.678 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.39 25.27 0.53 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.309 -0.87 . . . . 0.0 109.486 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m -141.62 -62.81 0.46 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.185 -0.947 . . . . 0.0 109.495 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.4 p -52.84 -28.0 13.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.317 -0.865 . . . . 0.0 109.303 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -82.57 -28.43 30.92 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.322 -0.861 . . . . 0.0 109.448 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -67.19 -46.97 72.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.227 -0.921 . . . . 0.0 109.641 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 mt -65.0 -23.98 67.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.288 -0.882 . . . . 0.0 109.813 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.8 mt -72.45 -46.73 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.18 -0.95 . . . . 0.0 109.659 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -62.32 -54.32 42.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.114 -0.991 . . . . 0.0 109.463 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.528 ' O ' ' C ' ' A' ' 17' ' ' GLN . 36.6 mt -59.69 -62.21 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.52 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.656 ' HG2' HG11 ' A' ' 101' ' ' VAL . 5.4 tp60 -35.86 -47.79 0.53 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.268 -0.895 . . . . 0.0 109.324 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.604 ' NZ ' ' OD2' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -53.32 -57.75 9.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.304 -0.873 . . . . 0.0 109.181 179.702 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -48.82 -43.37 38.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.267 -0.896 . . . . 0.0 109.139 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -59.06 -53.31 59.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.257 -0.902 . . . . 0.0 109.343 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -55.56 -63.08 1.28 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.301 -0.874 . . . . 0.0 109.725 -179.866 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' THR . 15.9 mtm180 -42.89 -38.65 2.26 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.249 -0.907 . . . . 0.0 109.772 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -60.84 -49.34 77.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.236 -0.915 . . . . 0.0 109.797 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' A' ' 25' ' ' ILE . 41.9 mt -65.76 -59.64 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.233 -0.917 . . . . 0.0 109.736 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 24' ' ' ILE . 11.0 mm -43.63 -29.07 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.199 -0.938 . . . . 0.0 109.685 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -77.71 -52.27 9.23 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.188 -0.945 . . . . 0.0 109.587 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.47 -33.14 72.15 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.266 -0.896 . . . . 0.0 109.445 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 28' ' ' LEU . 9.9 mt -68.66 -45.28 72.17 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.264 -0.897 . . . . 0.0 109.496 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.43 ' HA ' HD22 ' A' ' 29' ' ' LEU . 1.6 mm? -67.95 -53.21 27.97 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.215 -0.928 . . . . 0.0 109.321 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -48.33 -44.35 34.06 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.307 -0.87 . . . . 0.0 109.391 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.17 -34.98 59.22 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.27 -0.894 . . . . 0.0 109.454 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.34 21.25 7.01 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.386 -1.486 . . . . 0.0 109.386 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 95.0 p -48.66 167.42 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.346 -1.091 . . . . 0.0 109.658 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.74 77.14 74.45 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.331 -0.856 . . . . 0.0 109.323 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -53.74 -22.39 22.95 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.901 2.401 . . . . 0.0 112.278 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -49.86 -16.8 0.29 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.237 -0.914 . . . . 0.0 109.641 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -91.21 -102.72 0.1 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.168 -0.957 . . . . 0.0 109.52 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.7 tp -155.72 162.65 40.51 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.312 -0.867 . . . . 0.0 109.384 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -141.32 138.31 33.04 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.243 -0.91 . . . . 0.0 109.579 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.739 ' C ' HD12 ' A' ' 41' ' ' ILE . 4.8 pt-20 -108.82 142.41 39.44 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.311 -0.868 . . . . 0.0 109.522 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.809 HD12 ' N ' ' A' ' 41' ' ' ILE . 3.4 mp -125.49 156.77 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.375 -0.828 . . . . 0.0 109.203 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.417 ' N ' HG22 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -140.11 135.05 32.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.101 -0.999 . . . . 0.0 109.654 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -119.93 135.29 54.96 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.345 -0.847 . . . . 0.0 109.11 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -105.55 137.28 43.65 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.23 -0.919 . . . . 0.0 109.804 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.589 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 2.6 mp -141.66 126.96 18.64 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.413 -0.804 . . . . 0.0 109.2 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.794 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -108.63 159.69 16.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.209 -0.932 . . . . 0.0 109.504 -179.842 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.409 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -136.97 165.6 25.6 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.275 -0.891 . . . . 0.0 109.588 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -105.12 -23.34 12.94 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.199 -0.938 . . . . 0.0 109.33 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.673 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -114.94 116.47 28.56 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.297 -0.877 . . . . 0.0 109.276 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.439 ' C ' ' O ' ' A' ' 49' ' ' ASP . 2.1 p90 -43.68 -38.29 3.04 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.174 -0.954 . . . . 0.0 109.368 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -62.81 -72.51 0.13 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.228 -0.92 . . . . 0.0 109.267 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.507 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -37.21 -33.57 0.06 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.296 -0.877 . . . . 0.0 109.352 179.827 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 51' ' ' ASP . 4.6 tt -64.66 -42.22 95.55 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.32 -0.863 . . . . 0.0 109.407 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 51' ' ' ASP . 6.8 tt0 -69.37 -25.9 64.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.306 -0.871 . . . . 0.0 109.822 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.07 -63.74 1.35 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.165 -0.96 . . . . 0.0 109.965 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.05 -29.2 43.07 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.214 -0.929 . . . . 0.0 109.79 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.96 -46.09 46.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.185 -0.947 . . . . 0.0 109.697 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.4 t -59.5 -28.7 40.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.247 -0.908 . . . . 0.0 109.634 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -72.55 -54.75 8.3 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.248 -0.908 . . . . 0.0 109.688 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.26 -42.98 70.56 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.233 -0.917 . . . . 0.0 109.624 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -61.07 -40.63 94.42 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.183 -0.948 . . . . 0.0 109.554 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -63.91 -26.24 68.51 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.196 -0.94 . . . . 0.0 109.51 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 13.7 mtm -78.38 -29.63 47.45 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.2 -0.938 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.26 -16.22 4.15 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.482 ' HB3' ' HB1' ' A' ' 86' ' ' ALA . 82.4 m-85 -60.72 133.76 56.42 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.289 -1.124 . . . . 0.0 109.433 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.32 80.3 9.2 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.211 -0.931 . . . . 0.0 109.216 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 p -54.38 133.22 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.276 -0.89 . . . . 0.0 109.561 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.64 HD23 ' N ' ' A' ' 69' ' ' GLU . 1.1 tt -114.0 138.42 50.39 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.273 -0.892 . . . . 0.0 109.286 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.64 ' N ' HD23 ' A' ' 68' ' ' LEU . 3.6 mp0 -38.45 162.17 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.214 -0.928 . . . . 0.0 109.586 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.63 179.11 4.37 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.267 -0.895 . . . . 0.0 109.645 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.552 ' O ' ' C ' ' A' ' 72' ' ' GLU . 16.1 tt0 -147.55 103.5 3.54 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.364 -0.835 . . . . 0.0 109.236 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.552 ' C ' ' O ' ' A' ' 71' ' ' GLU . 58.1 mt-10 -33.75 110.6 0.09 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.385 -0.822 . . . . 0.0 109.736 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.7 t -119.34 -161.44 0.86 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.262 -0.899 . . . . 0.0 109.434 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.449 ' O ' ' O ' ' A' ' 75' ' ' ASP . 17.4 mt-10 -123.15 138.75 54.58 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.295 -0.878 . . . . 0.0 109.328 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.449 ' O ' ' O ' ' A' ' 74' ' ' GLU . 3.9 t70 -61.54 -132.52 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.292 -0.88 . . . . 0.0 109.428 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -107.65 -15.11 14.66 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.265 -0.897 . . . . 0.0 109.396 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -105.84 -23.4 12.71 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.219 -0.926 . . . . 0.0 109.284 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 119.78 86.29 0.98 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -146.01 -160.58 1.17 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.23 -1.159 . . . . 0.0 109.476 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -135.68 113.9 11.44 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.192 -0.943 . . . . 0.0 109.383 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.03 158.94 43.29 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.262 -0.899 . . . . 0.0 109.52 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.517 ' N ' HD12 ' A' ' 82' ' ' LEU . 6.7 mp -88.58 127.59 35.56 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.322 -0.861 . . . . 0.0 109.125 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.524 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 28.5 p -124.54 106.01 9.82 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.268 -0.895 . . . . 0.0 109.899 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.589 ' CE1' ' O ' ' A' ' 45' ' ' LEU . 13.2 p90 -97.42 156.48 16.45 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.116 -0.99 . . . . 0.0 108.827 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.582 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -126.64 168.01 14.91 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.033 -1.042 . . . . 0.0 110.049 -179.485 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.482 ' HB1' ' HB3' ' A' ' 65' ' ' PHE . . . -142.05 152.22 43.15 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.436 -0.79 . . . . 0.0 109.063 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.2 p -130.84 156.96 44.13 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.189 -0.944 . . . . 0.0 109.706 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 15.2 ttm -153.56 116.8 4.59 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.321 -0.862 . . . . 0.0 109.549 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.548 ' OE1' ' N ' ' A' ' 89' ' ' GLN . 7.4 mp0 -85.74 133.19 34.01 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.203 -0.936 . . . . 0.0 109.272 179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.7 p -166.16 -172.5 2.29 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.211 -0.931 . . . . 0.0 109.543 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.503 ' O ' ' C ' ' A' ' 92' ' ' LEU . . . -93.33 120.42 33.59 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.353 -0.842 . . . . 0.0 109.542 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.521 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 29.3 tp -37.68 134.2 0.72 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.22 -0.925 . . . . 0.0 109.498 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.521 ' CG ' ' O ' ' A' ' 92' ' ' LEU . 4.7 m-20 -178.67 113.18 0.06 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.219 -0.926 . . . . 0.0 109.367 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -46.42 -69.06 0.14 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.245 -0.91 . . . . 0.0 109.625 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' A' ' 94' ' ' ALA . 9.0 mtmt -39.88 -48.15 2.26 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.258 -0.901 . . . . 0.0 109.916 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.89 -54.88 42.12 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.118 -0.989 . . . . 0.0 109.729 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 33.4 mt -57.8 -30.21 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.16 -0.962 . . . . 0.0 109.622 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.604 ' OD2' ' NZ ' ' A' ' 18' ' ' LYS . 1.8 m-20 -63.2 -41.61 99.2 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.215 -0.928 . . . . 0.0 109.384 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -65.15 -40.82 94.9 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.298 -0.876 . . . . 0.0 109.232 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -64.29 -49.11 73.1 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.266 -0.896 . . . . 0.0 109.611 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.681 ' O ' HG23 ' A' ' 105' ' ' VAL . 59.6 t -65.87 -60.62 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.203 -0.935 . . . . 0.0 109.525 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 106' ' ' ASN . 35.0 tt0 -45.48 -31.82 1.92 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.203 -0.936 . . . . 0.0 109.497 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -72.7 -61.04 1.95 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.193 -0.942 . . . . 0.0 109.486 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.54 ' O ' ' HB2' ' A' ' 108' ' ' ALA . 14.6 mt -56.63 -15.61 4.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.204 -0.935 . . . . 0.0 109.445 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 101' ' ' VAL . 92.3 t -83.9 -68.39 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.361 -0.837 . . . . 0.0 109.486 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.555 ' ND2' ' H ' ' A' ' 106' ' ' ASN . 0.3 OUTLIER -50.76 -37.78 44.08 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.28 -0.888 . . . . 0.0 109.466 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.4 tt -72.45 -39.82 67.5 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.254 -0.904 . . . . 0.0 109.468 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 104' ' ' LEU . . . -53.29 -54.61 33.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.24 -0.913 . . . . 0.0 109.601 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -70.75 -34.14 71.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.282 -0.886 . . . . 0.0 109.45 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -58.89 -22.33 59.23 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.217 -0.927 . . . . 0.0 109.2 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.503 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 7.4 m-85 -100.59 -76.73 0.55 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.281 -0.887 . . . . 0.0 109.044 179.561 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.6 OUTLIER 163.75 33.89 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.381 -0.824 . . . . 0.0 109.542 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 8.8 pt -120.06 178.47 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.158 -0.964 . . . . 0.0 109.552 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.537 HG23 ' CD2' ' A' ' 46' ' ' PHE . 0.9 OUTLIER -120.37 110.62 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.262 -0.898 . . . . 0.0 109.517 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.484 ' OH ' HG13 ' A' ' 101' ' ' VAL . 5.1 t80 -87.38 125.89 34.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.251 -0.906 . . . . 0.0 109.419 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -176.9 81.59 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.205 -0.934 . . . . 0.0 109.358 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 160.11 80.99 0.04 OUTLIER Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 3.6 p-90 -122.65 147.0 46.95 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.208 -1.172 . . . . 0.0 109.43 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -162.41 172.37 38.49 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -137.49 177.01 8.19 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.224 -1.163 . . . . 0.0 109.384 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.46 ' N ' ' OG1' ' A' ' 120' ' ' THR . 6.9 t80 -119.85 125.19 47.91 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.351 -0.843 . . . . 0.0 109.561 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.447 ' CZ ' ' O ' ' A' ' 123' ' ' GLU . 25.3 t80 -70.39 140.62 52.14 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.224 -0.922 . . . . 0.0 109.38 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.447 ' O ' ' CZ ' ' A' ' 122' ' ' TYR . 3.0 tt0 -122.32 177.1 5.52 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.252 -0.905 . . . . 0.0 109.521 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 121.08 -27.14 6.51 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.94 120.48 20.53 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.176 -1.191 . . . . 0.0 109.497 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -65.34 -49.35 69.75 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.191 -0.943 . . . . 0.0 109.435 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 61.0 54.44 3.39 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.251 -0.906 . . . . 0.0 109.615 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -159.93 -41.6 0.05 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.305 -0.872 . . . . 0.0 109.177 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -115.56 -162.47 0.83 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.286 -0.884 . . . . 0.0 109.249 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 59.9 103.05 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.298 -0.876 . . . . 0.0 109.354 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.676 ' CG ' ' H ' ' A' ' 132' ' ' HIS . 2.4 p-80 -126.71 -63.87 1.05 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.233 -0.917 . . . . 0.0 109.553 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.676 ' H ' ' CG ' ' A' ' 131' ' ' HIS . 6.1 t60 . . . . . 0 N--CA 1.489 1.478 0 CA-C-O 118.075 -0.964 . . . . 0.0 109.497 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 ttm . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.222 0.534 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -124.5 -21.64 4.84 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.221 -0.924 . . . . 0.0 109.522 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.797 ' ND1' ' NE2' ' A' ' 4' ' ' GLN . 1.5 t-80 -103.02 126.71 50.31 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.195 -0.941 . . . . 0.0 109.699 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.797 ' NE2' ' ND1' ' A' ' 3' ' ' HIS . 20.5 mm-40 59.37 71.23 0.59 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.259 -0.9 . . . . 0.0 109.518 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -143.65 125.34 15.02 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.294 -0.879 . . . . 0.0 109.473 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' A' ' 7' ' ' TYR . 4.5 p30 -134.99 -79.77 0.44 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.249 -0.907 . . . . 0.0 109.358 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.535 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 77.8 m-85 -144.86 173.84 11.51 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.285 -0.884 . . . . 0.0 109.35 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 44.6 mt -119.79 97.25 5.54 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.202 -0.937 . . . . 0.0 109.533 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 12' ' ' GLU . 0.3 OUTLIER -153.8 -67.74 0.14 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.206 -0.934 . . . . 0.0 109.53 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 9' ' ' SER . 40.1 t -42.37 -31.95 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.155 -0.966 . . . . 0.0 109.605 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.534 ' CD ' ' OE2' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -76.84 -30.28 56.26 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.199 -0.938 . . . . 0.0 109.646 -179.876 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.534 ' OE2' ' CD ' ' A' ' 11' ' ' GLU . 23.4 mm-40 -66.4 -48.18 70.92 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.185 -0.947 . . . . 0.0 109.493 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.4 mt -56.67 -33.91 66.86 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.217 -0.927 . . . . 0.0 109.494 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.7 mt -65.72 -51.26 64.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.305 -0.872 . . . . 0.0 109.501 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -63.03 1.27 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.224 -0.923 . . . . 0.0 109.401 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.414 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.4 mp -53.86 -45.64 63.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.296 -0.878 . . . . 0.0 109.477 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.477 ' OE1' ' OG1' ' A' ' 21' ' ' THR . 5.1 tp-100 -58.91 -18.84 36.95 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.367 -0.833 . . . . 0.0 109.662 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -83.57 -60.38 2.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.202 -0.936 . . . . 0.0 109.683 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -48.8 -36.21 16.18 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.076 -1.015 . . . . 0.0 109.293 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -70.07 -51.69 29.9 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.322 -0.861 . . . . 0.0 109.509 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.477 ' OG1' ' OE1' ' A' ' 17' ' ' GLN . 9.1 m -55.3 -31.83 61.94 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.269 -0.895 . . . . 0.0 109.593 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -67.55 -48.15 67.77 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.074 -1.017 . . . . 0.0 109.562 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.22 -49.53 76.77 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.233 -0.917 . . . . 0.0 109.794 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.6 mt -58.53 -57.69 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.194 -0.942 . . . . 0.0 109.719 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 26' ' ' GLN . 1.1 mp -45.99 -59.18 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.284 -0.885 . . . . 0.0 109.53 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.465 ' N ' HG22 ' A' ' 25' ' ' ILE . 14.2 mm100 -47.25 -40.33 16.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.196 -0.94 . . . . 0.0 109.652 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.508 ' O ' ' C ' ' A' ' 28' ' ' LEU . . . -68.41 -66.28 0.59 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.219 -0.925 . . . . 0.0 109.632 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.508 ' C ' ' O ' ' A' ' 27' ' ' ALA . 79.9 mt -38.02 -39.62 0.41 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.211 -0.931 . . . . 0.0 109.58 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.608 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -66.05 -63.31 1.11 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.227 -0.92 . . . . 0.0 109.491 -179.86 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.509 ' O ' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -42.33 -30.85 0.35 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.172 -0.955 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.464 ' OD2' ' CE1' ' A' ' 122' ' ' TYR . 3.8 t70 -70.26 -18.14 63.13 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.258 -0.901 . . . . 0.0 109.287 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.608 ' N ' ' O ' ' A' ' 29' ' ' LEU . . . 85.87 33.87 14.51 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.2 p -60.97 -25.37 66.8 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.301 -1.117 . . . . 0.0 109.49 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.548 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER 57.85 88.4 0.12 Allowed Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.289 -0.882 . . . . 0.0 109.617 179.852 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -59.23 -1.33 0.87 Allowed 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.785 2.323 . . . . 0.0 111.971 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.71 -28.94 69.43 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.313 -0.867 . . . . 0.0 109.605 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.438 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -85.44 23.95 1.26 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.227 -0.921 . . . . 0.0 109.183 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.502 ' O ' ' OE2' ' A' ' 123' ' ' GLU . 10.3 mt 56.99 164.17 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.278 -0.889 . . . . 0.0 109.164 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.555 ' CZ ' HD13 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -129.6 154.92 46.61 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.255 -0.903 . . . . 0.0 109.53 -179.845 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -106.2 122.63 46.61 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.304 -0.872 . . . . 0.0 109.484 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mm -99.5 143.1 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.193 -0.942 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -133.18 139.46 47.05 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.267 -0.896 . . . . 0.0 109.691 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -131.83 159.28 38.99 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.322 -0.862 . . . . 0.0 109.239 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.671 ' NE2' ' OD2' ' A' ' 85' ' ' ASP . 0.1 OUTLIER -134.72 122.01 21.57 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.198 -0.939 . . . . 0.0 109.689 -179.842 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.506 ' N ' HD12 ' A' ' 45' ' ' LEU . 5.2 mp -128.07 151.09 49.6 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.272 -0.893 . . . . 0.0 109.301 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.586 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -132.26 161.11 34.27 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.164 -0.96 . . . . 0.0 109.806 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.546 ' HB2' HG22 ' A' ' 113' ' ' ILE . . . -148.02 164.3 34.23 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.458 -0.776 . . . . 0.0 109.411 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -111.63 -1.73 15.64 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.271 -0.893 . . . . 0.0 109.461 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -117.64 124.75 49.35 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.25 -0.906 . . . . 0.0 109.712 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -64.21 -27.42 69.05 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.151 -0.968 . . . . 0.0 109.278 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.7 -55.17 6.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.261 -0.9 . . . . 0.0 109.365 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.0 -31.19 72.27 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.267 -0.895 . . . . 0.0 109.368 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.608 ' O ' HD23 ' A' ' 53' ' ' LEU . 5.5 tt -64.84 -42.64 94.75 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.285 -0.884 . . . . 0.0 109.566 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -74.34 -21.29 59.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.23 -0.919 . . . . 0.0 109.856 -179.822 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -82.32 -59.69 2.46 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.09 -1.006 . . . . 0.0 109.56 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.17 -34.64 68.66 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.203 -0.936 . . . . 0.0 109.796 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.01 -47.96 40.49 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.251 -0.906 . . . . 0.0 109.743 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 54' ' ' GLU . 6.5 t -54.33 -44.96 68.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.2 -0.937 . . . . 0.0 109.845 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -68.21 -39.62 82.34 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.108 -0.995 . . . . 0.0 109.737 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.99 -47.04 61.54 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.223 -0.923 . . . . 0.0 109.69 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.533 ' O ' ' C ' ' A' ' 62' ' ' LYS . 15.5 t80 -68.14 -59.89 2.89 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.221 -0.925 . . . . 0.0 109.671 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.533 ' C ' ' O ' ' A' ' 61' ' ' PHE . 9.1 tttm -36.76 -34.77 0.08 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.178 -0.951 . . . . 0.0 109.532 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.478 ' N ' ' O ' ' A' ' 61' ' ' PHE . 8.8 mtm -70.11 -55.75 8.65 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.189 -0.944 . . . . 0.0 109.504 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 161.49 -24.32 0.24 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -60.03 122.15 13.63 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.271 -1.135 . . . . 0.0 109.325 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.75 86.4 0.67 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.197 -0.939 . . . . 0.0 109.186 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -59.65 145.91 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.307 -0.871 . . . . 0.0 109.741 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.629 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -124.37 135.67 53.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.271 -0.893 . . . . 0.0 109.332 179.865 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 68' ' ' LEU . 1.1 mm-40 -41.46 153.79 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.279 -0.888 . . . . 0.0 109.684 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.425 ' HB1' ' N ' ' A' ' 83' ' ' CYS . . . -105.42 159.04 16.23 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.331 -0.855 . . . . 0.0 109.588 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -119.82 179.83 4.13 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.31 -0.868 . . . . 0.0 109.171 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -91.39 117.63 29.84 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.187 -0.946 . . . . 0.0 109.686 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.488 ' OG1' ' N ' ' A' ' 74' ' ' GLU . 3.5 t -150.61 -162.31 1.52 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.255 -0.903 . . . . 0.0 109.341 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.488 ' N ' ' OG1' ' A' ' 73' ' ' THR . 23.5 pt-20 -155.6 -172.71 4.24 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.235 -0.916 . . . . 0.0 109.645 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.624 ' OD1' ' N ' ' A' ' 76' ' ' GLU . 1.5 p30 -142.72 -88.42 0.14 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.295 -0.878 . . . . 0.0 109.514 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.624 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 3.7 mt-10 -151.94 20.41 0.68 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.261 -0.899 . . . . 0.0 109.519 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.9 2.98 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.268 -0.895 . . . . 0.0 109.519 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.515 ' C ' ' H ' ' A' ' 80' ' ' LYS . . . -104.03 -50.49 1.0 Allowed Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.1 t30 63.28 -4.92 0.26 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.321 -1.105 . . . . 0.0 109.641 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.515 ' H ' ' C ' ' A' ' 78' ' ' GLY . 4.9 tttt -176.92 98.79 0.05 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.232 -0.917 . . . . 0.0 109.563 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.704 HD12 ' C ' ' A' ' 81' ' ' LEU . 1.9 pp -157.62 172.48 18.46 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.184 -0.948 . . . . 0.0 109.465 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.4 mp -112.33 141.91 45.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.18 -0.95 . . . . 0.0 109.449 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.425 ' N ' ' HB1' ' A' ' 70' ' ' ALA . 26.6 p -134.53 115.95 14.5 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.297 -0.877 . . . . 0.0 109.996 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.69 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -97.08 160.23 14.46 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.26 -0.9 . . . . 0.0 109.035 179.516 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.671 ' OD2' ' NE2' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -114.17 147.06 39.49 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.212 -0.93 . . . . 0.0 109.792 -179.595 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -120.49 140.14 51.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.31 -0.869 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.3 147.84 50.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.2 -0.938 . . . . 0.0 109.651 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.7 tpp -160.68 126.62 3.97 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.356 -0.84 . . . . 0.0 109.193 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.639 ' OE1' ' N ' ' A' ' 89' ' ' GLN . 6.6 mp0 -79.31 123.53 27.55 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.199 -0.938 . . . . 0.0 109.639 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.6 p -140.53 -172.32 3.41 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.386 -0.821 . . . . 0.0 109.298 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -100.71 137.71 38.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.193 -0.942 . . . . 0.0 109.501 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.555 HD13 ' CZ ' ' A' ' 39' ' ' TYR . 2.3 tp -57.82 103.72 0.15 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.148 -0.97 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -164.63 140.18 5.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.193 -0.942 . . . . 0.0 109.416 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.513 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -66.17 -71.69 0.19 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.199 -0.938 . . . . 0.0 109.347 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.513 ' C ' ' O ' ' A' ' 94' ' ' ALA . 23.6 mtpp -35.54 -45.9 0.38 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.285 -0.884 . . . . 0.0 109.518 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -59.03 -54.72 43.88 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.218 -0.926 . . . . 0.0 109.37 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.5 ' O ' HG23 ' A' ' 101' ' ' VAL . 6.9 mt -56.07 -28.62 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.195 -0.94 . . . . 0.0 109.31 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -64.5 -44.0 92.31 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.279 -0.888 . . . . 0.0 109.185 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.8 -51.41 69.46 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.254 -0.904 . . . . 0.0 109.404 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -58.6 -56.94 15.72 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.162 -0.961 . . . . 0.0 109.419 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.541 HG13 ' CE2' ' A' ' 115' ' ' TYR . 87.1 t -53.48 -24.2 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.313 -0.867 . . . . 0.0 109.251 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.01 -46.8 41.28 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.194 -0.941 . . . . 0.0 109.263 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.402 ' HE2' ' SD ' ' A' ' 63' ' ' MET . 15.9 tptt -63.22 -43.65 97.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.299 -0.876 . . . . 0.0 109.564 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.434 ' HA ' HD23 ' A' ' 104' ' ' LEU . 89.1 mt -67.07 -30.36 70.39 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.266 -0.896 . . . . 0.0 109.708 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.0 t -75.96 -50.09 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.164 -0.96 . . . . 0.0 109.625 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.36 -48.97 75.72 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.186 -0.946 . . . . 0.0 109.714 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.3 tp -62.54 -45.88 90.95 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.225 -0.922 . . . . 0.0 109.693 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.37 -60.13 3.84 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.33 -0.856 . . . . 0.0 109.976 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.97 -19.83 65.44 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.261 -0.899 . . . . 0.0 109.993 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.9 tptt -71.87 -29.76 64.7 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.101 -0.999 . . . . 0.0 109.595 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.516 ' O ' ' CG ' ' A' ' 112' ' ' ASP . 27.1 m-85 -97.32 -77.12 0.5 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.184 -0.947 . . . . 0.0 109.646 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.516 ' CG ' ' O ' ' A' ' 111' ' ' PHE . 2.0 m-20 169.56 35.49 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.206 -0.934 . . . . 0.0 109.434 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.546 HG22 ' HB2' ' A' ' 47' ' ' ALA . 7.0 pt -124.33 172.95 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.231 -0.918 . . . . 0.0 109.346 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.6 tt -119.68 145.76 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.196 -0.94 . . . . 0.0 109.604 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.541 ' CE2' HG13 ' A' ' 101' ' ' VAL . 1.2 t80 -111.78 97.6 6.81 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.324 -0.86 . . . . 0.0 109.164 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.75 80.93 1.82 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.233 -0.917 . . . . 0.0 109.542 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 162.19 80.15 0.04 OUTLIER Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.691 ' O ' ' CG ' ' A' ' 118' ' ' TRP . 3.1 p-90 -115.6 115.66 26.8 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.221 -1.164 . . . . 0.0 109.315 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -133.19 158.39 23.14 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.29 166.26 18.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.257 -1.143 . . . . 0.0 109.475 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -101.83 139.17 37.83 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.229 -0.92 . . . . 0.0 109.439 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.482 ' O ' ' C ' ' A' ' 123' ' ' GLU . 2.1 t80 -85.23 101.92 12.9 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.238 -0.914 . . . . 0.0 109.509 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.502 ' OE2' ' O ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -40.24 115.06 0.51 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.267 -0.896 . . . . 0.0 109.372 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 133.8 -19.59 4.18 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.1 mt -80.59 41.64 0.56 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.201 -1.176 . . . . 0.0 109.363 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 62.57 170.97 0.14 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.326 -0.859 . . . . 0.0 109.664 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -167.11 39.55 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.355 -0.84 . . . . 0.0 109.181 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -101.12 134.41 44.18 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.342 -0.849 . . . . 0.0 109.469 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -88.06 102.14 14.47 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.249 -0.907 . . . . 0.0 109.469 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -156.8 3.44 0.14 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.302 -0.874 . . . . 0.0 109.49 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.685 ' CG ' ' H ' ' A' ' 132' ' ' HIS . 1.8 t60 61.51 -137.8 0.53 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.21 -0.931 . . . . 0.0 109.584 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.685 ' H ' ' CG ' ' A' ' 131' ' ' HIS . 61.2 t60 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.553 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 tmm? . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.561 ' O ' ' OG ' ' A' ' 2' ' ' SER . 1.9 t -129.61 44.64 2.93 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.267 -0.896 . . . . 0.0 109.481 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.652 ' C ' ' HD1' ' A' ' 3' ' ' HIS . 2.8 t-80 45.09 86.81 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.301 -0.875 . . . . 0.0 109.688 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.46 131.59 39.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.248 -0.908 . . . . 0.0 109.301 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.525 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 3.7 p30 -85.54 -82.59 0.18 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.167 -0.958 . . . . 0.0 109.503 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.442 ' H ' ' CG ' ' A' ' 5' ' ' ASP . 5.3 t0 52.59 41.98 31.34 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.235 -0.916 . . . . 0.0 109.315 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -65.8 142.54 57.92 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.328 -0.857 . . . . 0.0 109.645 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.17 -167.71 1.67 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.297 -0.877 . . . . 0.0 109.27 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.666 ' O ' ' N ' ' A' ' 12' ' ' GLU . 2.8 m -95.72 -8.53 34.31 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.239 -0.913 . . . . 0.0 109.243 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 9' ' ' SER . 67.8 t -44.61 -33.93 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.162 -0.961 . . . . 0.0 108.873 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -76.6 -19.15 58.15 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.666 ' N ' ' O ' ' A' ' 9' ' ' SER . 5.5 mm-40 -72.18 -56.78 4.98 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.569 -0.707 . . . . 0.0 109.297 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.402 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 5.0 mt -49.73 -48.26 50.19 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.32 -0.863 . . . . 0.0 109.276 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.456 ' O ' ' C ' ' A' ' 15' ' ' GLU . 19.4 mt -51.92 -65.77 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.334 -0.854 . . . . 0.0 109.368 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 14' ' ' ILE . 12.4 mm-40 -41.99 -57.98 2.24 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.347 -0.845 . . . . 0.0 109.298 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.484 ' O ' ' C ' ' A' ' 17' ' ' GLN . 64.1 mt -49.33 -67.49 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.325 -0.859 . . . . 0.0 109.415 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.492 ' O ' ' C ' ' A' ' 18' ' ' LYS . 3.8 mp0 -39.87 -54.62 2.13 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.191 -0.943 . . . . 0.0 109.228 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.492 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -38.54 -58.89 0.98 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.209 -0.932 . . . . 0.0 109.351 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.522 ' O ' ' C ' ' A' ' 20' ' ' GLU . 2.8 mt-10 -56.83 -66.21 0.48 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.244 -0.91 . . . . 0.0 109.513 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.522 ' C ' ' O ' ' A' ' 19' ' ' GLU . 4.0 mm-40 -36.2 -42.93 0.33 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.248 -0.907 . . . . 0.0 109.622 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 22' ' ' ARG . 2.1 m -58.94 -61.45 2.62 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.254 -0.904 . . . . 0.0 109.565 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 21' ' ' THR . 8.2 ttp180 -43.07 -44.87 5.04 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.274 -0.891 . . . . 0.0 109.47 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.66 -48.06 72.8 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.296 -0.877 . . . . 0.0 109.267 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.574 ' O ' ' N ' ' A' ' 26' ' ' GLN . 14.9 mt -70.65 -67.16 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.37 -0.831 . . . . 0.0 109.452 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.502 ' C ' ' O ' ' A' ' 24' ' ' ILE . 17.0 mm -36.78 -29.24 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.266 -0.896 . . . . 0.0 109.519 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.574 ' N ' ' O ' ' A' ' 24' ' ' ILE . 8.5 mm-40 -76.54 -52.71 9.24 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.179 -0.951 . . . . 0.0 109.511 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.67 -49.44 62.35 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.28 -0.888 . . . . 0.0 109.686 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 29' ' ' LEU . 15.2 mt -60.32 -63.17 1.39 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.268 -0.895 . . . . 0.0 109.709 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 28' ' ' LEU . 1.0 OUTLIER -45.23 -55.14 6.13 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.14 -0.975 . . . . 0.0 109.474 -179.784 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -53.09 -31.41 41.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.243 -0.911 . . . . 0.0 109.592 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.28 -23.84 65.72 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.214 -0.929 . . . . 0.0 109.424 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.33 32.67 8.61 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -74.71 126.76 31.56 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.267 -1.137 . . . . 0.0 109.663 -179.844 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.623 ' HB3' ' HB2' ' A' ' 37' ' ' ALA . 0.3 OUTLIER -40.78 102.96 0.28 Allowed Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.262 -0.899 . . . . 0.0 109.673 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -56.19 -9.88 3.9 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.598 2.198 . . . . 0.0 112.475 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -119.34 15.35 13.02 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.043 -1.036 . . . . 0.0 109.97 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.623 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . . . -85.26 4.3 35.47 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.131 -0.981 . . . . 0.0 109.206 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 64.19 143.09 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.369 -0.832 . . . . 0.0 109.475 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -127.62 160.2 32.35 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.263 -0.898 . . . . 0.0 109.428 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -109.81 127.01 54.38 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.208 -0.932 . . . . 0.0 109.551 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mm -101.61 132.13 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.249 -0.907 . . . . 0.0 109.188 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -115.95 124.21 49.99 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.305 -0.872 . . . . 0.0 109.379 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.495 ' CD2' ' N ' ' A' ' 43' ' ' HIS . 6.4 m-70 -114.88 139.15 50.01 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.172 -0.955 . . . . 0.0 109.532 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.533 ' ND1' ' O ' ' A' ' 117' ' ' GLY . 14.8 m80 -103.1 120.07 40.01 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.316 -0.865 . . . . 0.0 109.564 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.453 ' HB2' ' CE2' ' A' ' 84' ' ' PHE . 4.1 mp -127.45 136.05 51.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.266 -0.896 . . . . 0.0 109.031 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.629 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -126.42 167.97 14.84 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.148 -0.97 . . . . 0.0 109.989 -179.571 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.561 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -152.11 177.28 10.67 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.433 -0.792 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -113.82 -28.84 7.28 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.166 -0.959 . . . . 0.0 109.657 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 51' ' ' ASP . 2.6 t70 -117.98 111.18 18.61 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.203 -0.936 . . . . 0.0 109.764 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -47.5 -20.51 0.24 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.291 -0.881 . . . . 0.0 109.188 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 49' ' ' ASP . 15.7 t70 -65.7 -69.91 0.27 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.327 -0.858 . . . . 0.0 109.377 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.08 -26.5 64.69 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.163 -0.96 . . . . 0.0 109.251 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.664 ' C ' HD23 ' A' ' 53' ' ' LEU . 5.2 tt -64.98 -59.81 3.75 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.327 -0.858 . . . . 0.0 109.452 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -50.31 -38.52 42.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.344 -0.847 . . . . 0.0 109.416 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -58.62 -50.31 74.32 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.366 -0.834 . . . . 0.0 109.672 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 57' ' ' ALA . . . -67.08 -64.13 0.92 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.191 -0.943 . . . . 0.0 109.529 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 56' ' ' ALA . . . -41.21 -47.47 3.33 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.301 -0.875 . . . . 0.0 109.674 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.5 t -54.47 -50.32 58.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.203 -0.936 . . . . 0.0 109.626 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.81 -39.0 83.54 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.227 -0.921 . . . . 0.0 109.658 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.43 -58.72 7.37 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.233 -0.917 . . . . 0.0 109.281 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -48.4 -47.26 37.85 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.285 -0.885 . . . . 0.0 109.269 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.473 ' NZ ' ' HB3' ' A' ' 62' ' ' LYS . 1.4 mtpm? -49.27 -60.05 3.15 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.319 -0.863 . . . . 0.0 109.373 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 20.6 mtm -47.41 -60.03 2.8 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.304 -0.873 . . . . 0.0 109.366 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 158.19 32.66 0.02 OUTLIER Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.505 ' CE2' HD21 ' A' ' 104' ' ' LEU . 58.2 m-85 -102.26 148.84 24.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.249 -1.148 . . . . 0.0 109.378 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -98.97 82.06 2.7 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.235 -0.916 . . . . 0.0 109.311 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.5 p -60.2 124.27 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.2 -0.937 . . . . 0.0 109.601 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.649 HD23 ' H ' ' A' ' 69' ' ' GLU . 0.6 OUTLIER -102.95 143.98 31.84 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.291 -0.88 . . . . 0.0 109.188 179.762 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.649 ' H ' HD23 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -40.01 164.03 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.233 -0.917 . . . . 0.0 109.354 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.408 ' HB1' ' N ' ' A' ' 83' ' ' CYS . . . -112.08 175.8 5.28 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.242 -0.911 . . . . 0.0 109.53 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.464 ' OE1' ' C ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -135.27 153.52 51.87 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.29 -0.881 . . . . 0.0 109.398 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.464 ' C ' ' OE1' ' A' ' 71' ' ' GLU . 1.3 mm-40 -75.87 104.59 6.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.312 -0.868 . . . . 0.0 109.366 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.562 ' OG1' ' N ' ' A' ' 74' ' ' GLU . 2.1 t -127.1 -143.34 0.29 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.267 -0.896 . . . . 0.0 109.471 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.562 ' N ' ' OG1' ' A' ' 73' ' ' THR . 6.5 pt-20 -170.99 168.42 6.98 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.326 -0.859 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.531 ' OD1' ' O ' ' A' ' 74' ' ' GLU . 8.2 m-20 -144.96 -121.19 0.08 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.207 -0.933 . . . . 0.0 109.653 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 77' ' ' ASP . 14.4 mt-10 -96.68 16.94 17.6 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.255 -0.903 . . . . 0.0 109.754 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 76' ' ' GLU . 0.4 OUTLIER 169.2 8.85 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.167 -0.958 . . . . 0.0 109.58 179.832 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.652 ' O ' ' N ' ' A' ' 80' ' ' LYS . . . -76.47 -50.84 7.0 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 61.57 -35.66 0.1 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.236 -1.156 . . . . 0.0 109.731 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.652 ' N ' ' O ' ' A' ' 78' ' ' GLY . 15.0 tptt -170.14 73.25 0.07 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.122 -0.986 . . . . 0.0 109.718 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.448 HD12 ' C ' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -119.06 -167.34 1.37 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.16 -0.962 . . . . 0.0 109.293 179.637 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 mp -120.14 141.6 49.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.079 -1.013 . . . . 0.0 109.748 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.461 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER -130.5 101.94 5.94 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.325 -0.859 . . . . 0.0 109.222 179.704 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.484 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 5.6 p90 -91.71 149.92 21.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.128 -0.982 . . . . 0.0 109.466 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.544 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -103.73 156.16 18.02 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.328 -0.857 . . . . 0.0 109.556 -179.822 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -131.53 131.34 43.32 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.264 -0.897 . . . . 0.0 109.369 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.59 143.43 45.62 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.227 -0.921 . . . . 0.0 109.517 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.89 118.42 6.52 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.319 -0.863 . . . . 0.0 109.582 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -71.04 119.62 15.42 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.244 -0.91 . . . . 0.0 109.088 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.46 140.52 31.94 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.061 -1.024 . . . . 0.0 109.818 -179.569 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.88 142.8 52.89 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.262 -0.899 . . . . 0.0 109.268 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.493 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 1.0 OUTLIER -58.59 109.87 0.88 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.277 -0.889 . . . . 0.0 109.57 -179.85 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.493 ' OD1' ' O ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -170.05 130.36 0.97 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.334 -0.854 . . . . 0.0 109.368 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.65 -50.1 72.55 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.172 -0.955 . . . . 0.0 109.725 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -52.55 -29.32 24.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.233 -0.917 . . . . 0.0 109.608 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 96' ' ' LEU . 0.2 OUTLIER -74.52 -50.62 17.4 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.199 -0.938 . . . . 0.0 109.54 -179.847 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 51.5 mt -64.54 -28.87 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.355 -0.841 . . . . 0.0 109.682 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.69 -50.35 58.08 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.245 -0.909 . . . . 0.0 109.635 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.66 -48.12 82.16 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.214 -0.929 . . . . 0.0 109.62 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.658 ' N ' ' OE1' ' A' ' 100' ' ' GLN . 0.9 OUTLIER -64.38 -41.98 96.41 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.172 -0.955 . . . . 0.0 109.629 -179.875 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 102' ' ' GLU . 2.3 t -58.6 -61.59 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.194 -0.941 . . . . 0.0 109.641 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.492 ' N ' HG12 ' A' ' 101' ' ' VAL . 9.3 mt-10 -45.9 -45.12 15.13 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.247 -0.908 . . . . 0.0 109.755 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -56.0 -55.98 26.24 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.235 -0.916 . . . . 0.0 109.927 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.505 HD21 ' CE2' ' A' ' 65' ' ' PHE . 70.3 mt -61.7 -34.13 75.24 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.292 -0.88 . . . . 0.0 109.964 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.7 t -66.51 -45.22 89.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.177 -0.952 . . . . 0.0 109.725 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -63.36 -56.11 19.01 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.179 -0.951 . . . . 0.0 109.789 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.4 tp -58.46 -47.62 83.44 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.202 -0.936 . . . . 0.0 109.725 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.38 -45.18 35.47 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.205 -0.934 . . . . 0.0 109.576 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.87 -25.43 48.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.168 -0.957 . . . . 0.0 109.569 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -62.91 -31.95 73.12 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.175 -0.953 . . . . 0.0 109.646 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.491 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 4.4 m-85 -99.19 -77.19 0.52 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.149 -0.97 . . . . 0.0 109.594 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.7 OUTLIER 166.48 36.26 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.174 -0.954 . . . . 0.0 109.734 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.428 HG22 ' HB2' ' A' ' 47' ' ' ALA . 24.1 pt -118.3 137.24 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.119 -0.988 . . . . 0.0 109.335 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.544 HD12 ' N ' ' A' ' 115' ' ' TYR . 0.2 OUTLIER -86.45 113.7 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.222 -0.923 . . . . 0.0 109.651 -179.837 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.544 ' N ' HD12 ' A' ' 114' ' ' ILE . 1.0 OUTLIER -99.95 102.65 14.09 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.321 -0.862 . . . . 0.0 109.333 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -152.21 88.26 1.37 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.263 -0.898 . . . . 0.0 109.538 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.533 ' O ' ' ND1' ' A' ' 44' ' ' HIS . . . 162.91 73.86 0.02 OUTLIER Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.525 ' O ' ' CG ' ' A' ' 118' ' ' TRP . 5.9 p-90 -108.69 129.16 55.35 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.188 -1.183 . . . . 0.0 109.532 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -143.71 143.14 11.92 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.8 t -100.18 177.9 4.94 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.216 -1.167 . . . . 0.0 109.621 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.566 ' CZ ' ' O ' ' A' ' 122' ' ' TYR . 1.7 t80 -134.38 131.16 37.91 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.331 -0.856 . . . . 0.0 109.291 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.566 ' O ' ' CZ ' ' A' ' 121' ' ' TYR . 0.7 OUTLIER -54.89 150.21 10.36 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.289 -0.882 . . . . 0.0 109.482 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.68 42.68 0.3 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.287 -0.883 . . . . 0.0 109.513 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 119.39 174.03 15.61 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 18.4 mt -130.12 145.32 51.69 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.303 -1.116 . . . . 0.0 109.464 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.69 ' O ' ' CG ' ' A' ' 127' ' ' HIS . 2.9 mt-10 -130.78 76.68 1.74 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.334 -0.854 . . . . 0.0 109.543 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.69 ' CG ' ' O ' ' A' ' 126' ' ' GLU . 13.9 m80 -163.23 -7.19 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.236 -0.915 . . . . 0.0 109.561 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -81.36 162.28 23.46 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.19 -0.944 . . . . 0.0 109.644 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.414 ' ND1' ' N ' ' A' ' 129' ' ' HIS . 0.0 OUTLIER -136.19 142.52 44.12 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.357 -0.839 . . . . 0.0 109.336 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -130.34 172.78 11.47 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.248 -0.907 . . . . 0.0 109.517 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.469 ' O ' ' C ' ' A' ' 132' ' ' HIS . 1.9 m80 -167.13 -90.81 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.33 -0.856 . . . . 0.0 109.505 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.469 ' C ' ' O ' ' A' ' 131' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.428 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -158.46 27.08 0.24 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.325 -0.86 . . . . 0.0 109.465 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.452 ' H ' ' CD2' ' A' ' 3' ' ' HIS . 0.2 OUTLIER -133.15 38.19 3.35 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.268 -0.895 . . . . 0.0 109.538 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.472 ' CD ' ' H ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -157.99 146.67 19.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.234 -0.916 . . . . 0.0 109.377 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.513 ' OD1' ' C ' ' A' ' 5' ' ' ASP . 17.6 t0 -155.36 124.85 6.37 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.207 -0.933 . . . . 0.0 109.604 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.499 ' O ' ' C ' ' A' ' 7' ' ' TYR . 5.9 t70 -158.45 85.45 0.85 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.371 -0.831 . . . . 0.0 109.243 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.499 ' C ' ' O ' ' A' ' 6' ' ' ASP . 1.0 OUTLIER 39.95 79.07 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.194 -0.941 . . . . 0.0 109.148 -179.722 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.555 ' O ' ' OG ' ' A' ' 9' ' ' SER . 10.3 mp -62.81 164.63 7.67 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.291 -0.88 . . . . 0.0 109.738 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.555 ' OG ' ' O ' ' A' ' 8' ' ' LEU . 1.9 m -172.75 -53.92 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.337 -0.852 . . . . 0.0 109.039 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.457 HG23 ' H ' ' A' ' 10' ' ' VAL . 0.8 OUTLIER -57.13 -27.02 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.311 -0.868 . . . . 0.0 109.177 179.709 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -71.82 -21.68 61.66 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.347 -0.846 . . . . 0.0 109.316 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -74.71 -48.19 27.29 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.335 -0.853 . . . . 0.0 109.361 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.465 ' N ' HD23 ' A' ' 13' ' ' LEU . 8.0 mt -61.28 -45.99 92.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.328 -0.857 . . . . 0.0 109.482 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.0 mt -62.05 -54.56 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.155 -0.966 . . . . 0.0 109.52 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -52.17 -55.1 23.19 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.171 -0.956 . . . . 0.0 109.556 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.7 mt -47.52 -37.18 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.265 -0.897 . . . . 0.0 109.751 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.503 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.9 OUTLIER -73.53 -35.8 65.61 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.205 -0.934 . . . . 0.0 109.591 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -59.7 -44.25 93.76 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.253 -0.904 . . . . 0.0 109.606 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -68.44 -55.43 11.9 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.282 -0.886 . . . . 0.0 109.693 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -56.06 -27.83 55.08 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.263 -0.898 . . . . 0.0 109.723 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.503 ' OG1' ' O ' ' A' ' 17' ' ' GLN . 68.8 m -67.91 -53.0 29.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.12 -0.988 . . . . 0.0 109.709 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -58.35 -27.32 64.07 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.222 -0.924 . . . . 0.0 109.482 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.37 -52.19 12.88 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.159 -0.963 . . . . 0.0 109.478 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 84.8 mt -61.86 -55.05 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.246 -0.909 . . . . 0.0 109.437 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.2 mp -54.65 -32.81 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.142 -0.974 . . . . 0.0 109.227 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.412 ' O ' ' OE1' ' A' ' 26' ' ' GLN . 1.3 tp-100 -68.71 -57.52 5.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.202 -0.936 . . . . 0.0 109.625 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.08 -51.9 60.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.217 -0.927 . . . . 0.0 109.782 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.99 -48.28 80.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.219 -0.926 . . . . 0.0 109.609 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.485 ' HA ' HD23 ' A' ' 29' ' ' LEU . 12.3 mt -53.55 -45.27 69.79 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.292 -0.88 . . . . 0.0 109.383 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -68.35 -30.84 69.88 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.253 -0.904 . . . . 0.0 109.476 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -61.25 -36.34 79.73 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.198 -0.939 . . . . 0.0 109.482 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.561 ' O ' ' O ' ' A' ' 33' ' ' SER . . . 123.64 15.8 3.54 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.929 -1.268 . . . . 0.0 109.929 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.561 ' O ' ' O ' ' A' ' 32' ' ' GLY . 1.3 t -48.32 -175.89 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.13 -1.217 . . . . 0.0 109.303 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -142.14 88.88 8.94 Favored Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.156 -0.965 . . . . 0.0 109.504 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -54.32 -17.72 12.74 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.914 2.409 . . . . 0.0 112.291 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.9 12.72 14.49 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.244 -0.91 . . . . 0.0 109.635 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.518 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -120.34 26.88 8.93 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.177 -0.952 . . . . 0.0 109.475 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.518 ' O ' ' O ' ' A' ' 37' ' ' ALA . 27.4 mt 55.45 160.7 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.23 -0.919 . . . . 0.0 109.36 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.67 171.69 13.72 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.271 -0.893 . . . . 0.0 109.428 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.81 ' C ' HD12 ' A' ' 41' ' ' ILE . 3.5 tt0 -122.56 128.98 51.43 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.228 -0.92 . . . . 0.0 109.623 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.81 HD12 ' C ' ' A' ' 40' ' ' GLU . 2.5 mp -122.39 129.32 75.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.322 -0.861 . . . . 0.0 109.23 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -116.02 146.01 42.51 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.22 -0.925 . . . . 0.0 109.488 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.581 ' CD2' ' N ' ' A' ' 43' ' ' HIS . 1.1 m-70 -121.91 154.04 37.65 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.343 -0.848 . . . . 0.0 109.538 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.682 ' C ' HD12 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -120.74 135.62 55.09 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.283 -0.886 . . . . 0.0 109.318 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.792 ' N ' HD12 ' A' ' 45' ' ' LEU . 1.4 mp -144.77 146.34 32.1 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.218 -0.927 . . . . 0.0 109.636 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.647 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -125.38 160.84 28.39 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.313 -0.867 . . . . 0.0 109.753 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.421 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -141.6 -179.46 6.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.376 -0.827 . . . . 0.0 109.545 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.76 -45.65 3.79 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.178 -0.951 . . . . 0.0 110.119 -179.493 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -100.84 143.91 30.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.076 -1.015 . . . . 0.0 109.976 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.499 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -64.61 -30.51 71.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.254 -0.904 . . . . 0.0 109.088 179.721 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.487 ' O ' ' C ' ' A' ' 52' ' ' LYS . 16.9 m-20 -70.62 -72.04 0.22 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.243 -0.911 . . . . 0.0 109.247 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.487 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -39.91 -35.44 0.36 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.251 -0.906 . . . . 0.0 109.074 179.788 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.532 ' C ' HD23 ' A' ' 53' ' ' LEU . 5.0 tt -66.53 -53.75 31.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.403 -0.81 . . . . 0.0 109.418 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.776 ' O ' HG23 ' A' ' 58' ' ' VAL . 15.7 tt0 -55.9 -25.23 41.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.304 -0.872 . . . . 0.0 109.538 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt -76.83 -65.6 0.92 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.178 -0.951 . . . . 0.0 109.352 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.92 -41.35 33.45 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.178 -0.951 . . . . 0.0 109.046 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.557 ' HB1' HG21 ' A' ' 67' ' ' VAL . . . -64.93 -49.02 72.02 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.284 -0.885 . . . . 0.0 109.198 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 54' ' ' GLU . 17.3 t -50.74 -53.75 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.302 -0.874 . . . . 0.0 109.203 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -51.41 -41.99 61.15 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.222 -0.924 . . . . 0.0 109.3 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.69 -58.08 8.92 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.355 -0.841 . . . . 0.0 109.306 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 61' ' ' PHE . 15.3 t80 -47.75 -60.1 2.81 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.264 -0.897 . . . . 0.0 109.44 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -48.36 -42.36 31.36 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.297 -0.877 . . . . 0.0 109.626 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 28.7 mtm -66.09 -24.96 66.8 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.187 -0.946 . . . . 0.0 109.536 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.58 52.29 0.48 Allowed Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.618 ' CZ ' ' CE ' ' A' ' 88' ' ' MET . 23.9 m-85 -132.58 118.44 19.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.251 -1.147 . . . . 0.0 109.256 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.47 88.15 0.06 Allowed 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.153 -0.967 . . . . 0.0 109.266 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.557 HG21 ' HB1' ' A' ' 57' ' ' ALA . 9.3 p -70.19 145.65 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.348 -0.845 . . . . 0.0 109.731 -179.63 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.534 HD22 ' O ' ' A' ' 67' ' ' VAL . 0.7 OUTLIER -125.28 138.97 54.09 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.213 -0.929 . . . . 0.0 109.3 179.829 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -46.02 164.6 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.187 -0.945 . . . . 0.0 109.648 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.449 ' HB1' ' N ' ' A' ' 83' ' ' CYS . . . -107.88 180.0 4.06 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.204 -0.935 . . . . 0.0 109.491 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 72' ' ' GLU . 0.4 OUTLIER -148.31 118.81 7.41 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.274 -0.891 . . . . 0.0 109.393 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -41.63 117.15 0.88 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.176 -0.952 . . . . 0.0 109.406 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.488 HG23 ' N ' ' A' ' 74' ' ' GLU . 14.3 t -116.4 -150.71 0.47 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.35 -0.844 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.488 ' N ' HG23 ' A' ' 73' ' ' THR . 4.6 mt-10 -149.32 122.07 8.67 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.189 -0.944 . . . . 0.0 109.619 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -91.44 -60.56 1.85 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.233 -0.917 . . . . 0.0 109.265 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 78' ' ' GLY . 2.2 tt0 -96.37 30.05 2.66 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.352 -0.843 . . . . 0.0 109.326 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 51.91 10.26 0.11 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.235 -0.916 . . . . 0.0 109.359 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 76' ' ' GLU . . . -142.81 16.78 2.4 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.416 -1.473 . . . . 0.0 109.416 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -132.2 -178.15 4.78 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.223 -1.163 . . . . 0.0 109.456 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.87 110.06 2.83 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.277 -0.89 . . . . 0.0 109.401 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.56 168.71 15.99 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.262 -0.899 . . . . 0.0 109.519 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.829 ' N ' HD12 ' A' ' 82' ' ' LEU . 4.1 mp -98.3 131.51 44.56 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.175 -0.953 . . . . 0.0 109.573 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.449 ' N ' ' HB1' ' A' ' 70' ' ' ALA . 1.7 p -124.35 113.84 18.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.402 -0.811 . . . . 0.0 109.505 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.526 ' CD1' HD21 ' A' ' 53' ' ' LEU . 5.3 p90 -100.44 162.01 13.22 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.2 -0.937 . . . . 0.0 109.219 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.531 ' OD1' ' NE2' ' A' ' 44' ' ' HIS . 0.4 OUTLIER -122.6 165.58 16.23 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.153 -0.967 . . . . 0.0 109.956 -179.575 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -139.66 160.75 39.15 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.387 -0.821 . . . . 0.0 109.037 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.02 150.01 45.31 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.029 -1.044 . . . . 0.0 110.105 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.618 ' CE ' ' CZ ' ' A' ' 65' ' ' PHE . 7.4 ttm -156.66 128.69 7.34 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.432 -0.793 . . . . 0.0 109.024 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -96.56 142.68 28.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.192 -0.943 . . . . 0.0 109.846 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.4 p -173.08 -176.91 1.47 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.37 -0.831 . . . . 0.0 109.306 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 93' ' ' ASP . . . -81.46 110.65 17.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.215 -0.928 . . . . 0.0 109.643 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 91' ' ' ALA . 14.1 tp -42.28 96.35 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.273 -0.892 . . . . 0.0 109.406 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.6 OUTLIER -144.1 138.34 28.17 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.252 -0.905 . . . . 0.0 109.586 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.55 -45.31 92.19 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.241 -0.912 . . . . 0.0 109.696 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -53.94 -51.38 64.01 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.154 -0.966 . . . . 0.0 109.53 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 97' ' ' ILE . 4.0 mp -60.49 -65.08 0.74 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.181 -0.949 . . . . 0.0 109.358 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 96' ' ' LEU . 25.7 mt -42.69 -38.88 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.272 -0.892 . . . . 0.0 109.608 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.62 -53.83 48.65 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.223 -0.923 . . . . 0.0 109.768 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -63.13 -46.6 86.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.25 -0.906 . . . . 0.0 109.886 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -56.73 -53.12 61.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.194 -0.941 . . . . 0.0 109.525 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.662 HG13 ' CZ ' ' A' ' 115' ' ' TYR . 44.2 t -61.35 -54.47 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.156 -0.965 . . . . 0.0 109.422 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 101' ' ' VAL . 21.7 mt-10 -42.08 -35.97 1.04 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.285 -0.884 . . . . 0.0 109.512 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -68.41 -62.83 1.22 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.285 -0.884 . . . . 0.0 109.406 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.416 ' H ' ' HG ' ' A' ' 104' ' ' LEU . 35.4 mt -53.03 -20.77 3.78 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.355 -0.841 . . . . 0.0 109.451 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 22.0 t -74.46 -66.03 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.248 -0.907 . . . . 0.0 109.372 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -50.88 -51.08 55.12 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.271 -0.893 . . . . 0.0 109.464 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.437 HD23 ' N ' ' A' ' 108' ' ' ALA . 1.5 tt -54.54 -46.16 73.54 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.324 -0.86 . . . . 0.0 109.759 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.537 ' HB1' HG13 ' A' ' 113' ' ' ILE . . . -53.15 -63.29 1.2 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.205 -0.934 . . . . 0.0 109.644 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.587 ' N ' ' OE1' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -55.1 -41.39 71.56 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.205 -0.934 . . . . 0.0 109.806 -179.774 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -54.94 -29.71 57.07 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.255 -0.903 . . . . 0.0 109.665 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.548 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 7.5 m-85 -95.14 -76.07 0.5 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.215 -0.928 . . . . 0.0 109.51 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.9 OUTLIER 160.91 34.6 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.425 -0.797 . . . . 0.0 109.031 -179.833 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.537 HG13 ' HB1' ' A' ' 108' ' ' ALA . 13.2 pt -119.17 166.01 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.345 -0.847 . . . . 0.0 109.567 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.663 HD12 ' N ' ' A' ' 115' ' ' TYR . 0.1 OUTLIER -114.37 113.25 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.304 -0.873 . . . . 0.0 109.353 179.825 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.663 ' N ' HD12 ' A' ' 114' ' ' ILE . 1.1 t80 -93.12 114.38 26.89 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.299 -0.876 . . . . 0.0 109.394 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.483 ' O ' ' OD1' ' A' ' 116' ' ' ASP . 5.5 t0 -162.74 84.36 0.53 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.272 -0.893 . . . . 0.0 109.4 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 163.08 83.33 0.05 OUTLIER Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -119.63 157.76 27.79 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.245 -1.15 . . . . 0.0 109.42 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 175.26 157.14 15.86 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.649 -1.38 . . . . 0.0 109.649 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.4 t -120.47 167.41 12.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.284 -1.127 . . . . 0.0 109.342 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.86 146.99 41.54 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.234 -0.916 . . . . 0.0 109.45 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -63.17 140.04 58.83 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.19 -0.944 . . . . 0.0 109.301 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -100.74 105.19 16.5 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.182 -0.949 . . . . 0.0 109.558 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 104.81 72.35 0.87 Allowed Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.6 mt -84.82 70.63 10.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.243 -1.151 . . . . 0.0 109.374 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -149.96 12.31 0.76 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.153 -0.967 . . . . 0.0 109.591 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -110.41 52.0 0.74 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.204 -0.935 . . . . 0.0 109.478 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -108.02 129.43 55.13 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.313 -0.867 . . . . 0.0 109.424 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.623 ' CG ' ' N ' ' A' ' 130' ' ' HIS . 0.1 OUTLIER -69.75 -96.21 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.162 -0.961 . . . . 0.0 109.491 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.623 ' N ' ' CG ' ' A' ' 129' ' ' HIS . 1.5 t-80 -98.77 24.58 7.43 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.225 -0.922 . . . . 0.0 109.48 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 54.35 5.19 0.07 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.146 -0.972 . . . . 0.0 109.488 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.501 ' H ' ' C ' ' A' ' 130' ' ' HIS . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 117.992 -1.004 . . . . 0.0 109.441 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.7 mmt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 p -105.84 -43.33 4.91 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.254 -0.904 . . . . 0.0 109.393 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -164.97 -81.33 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.226 -0.921 . . . . 0.0 109.583 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -147.27 160.68 42.22 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.319 -0.863 . . . . 0.0 109.512 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.666 ' OD1' ' N ' ' A' ' 6' ' ' ASP . 8.7 t0 -115.64 162.11 17.71 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.228 -0.92 . . . . 0.0 109.236 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.666 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 4.8 m-20 54.38 157.46 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.186 -0.946 . . . . 0.0 109.164 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -128.6 158.95 37.05 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.208 -0.932 . . . . 0.0 109.663 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.13 56.42 3.17 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.312 -0.867 . . . . 0.0 109.602 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.492 ' O ' ' C ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -130.54 -55.77 1.08 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.219 -0.926 . . . . 0.0 109.328 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.492 ' C ' ' O ' ' A' ' 9' ' ' SER . 4.9 m -39.98 -31.22 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 O-C-N 121.247 -0.908 . . . . 0.0 109.21 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 12' ' ' GLU . 12.0 tp10 -82.01 -61.8 1.81 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.337 -0.852 . . . . 0.0 109.365 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.486 ' CD ' ' C ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -40.62 -31.93 0.18 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.175 -0.953 . . . . 0.0 108.983 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.435 ' N ' ' HG3' ' A' ' 12' ' ' GLU . 0.8 OUTLIER -68.67 -59.73 2.91 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.296 -0.878 . . . . 0.0 108.934 179.546 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 14.1 mt -53.79 -35.3 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.292 -0.88 . . . . 0.0 109.225 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.25 -63.13 1.39 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.478 -0.763 . . . . 0.0 109.591 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 60.1 mt -54.11 -61.04 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.32 -0.862 . . . . 0.0 109.789 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -46.38 -48.54 18.58 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.146 -0.971 . . . . 0.0 109.673 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.446 ' HZ2' ' HB3' ' A' ' 18' ' ' LYS . 11.2 ttpp -59.59 -57.69 11.84 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.234 -0.916 . . . . 0.0 109.626 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -50.6 -63.91 0.98 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.271 -0.893 . . . . 0.0 109.583 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' THR . 41.5 tt0 -41.81 -67.4 0.26 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.281 -0.887 . . . . 0.0 109.592 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.53 ' O ' ' C ' ' A' ' 22' ' ' ARG . 84.8 m -41.69 -64.81 0.52 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.211 -0.931 . . . . 0.0 109.591 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.53 ' C ' ' O ' ' A' ' 21' ' ' THR . 6.2 mtm180 -35.06 -35.37 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.206 -0.934 . . . . 0.0 109.551 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -74.48 -44.62 50.68 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.23 -0.919 . . . . 0.0 109.438 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' A' ' 21' ' ' THR . 62.8 mt -60.38 -54.13 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.22 -0.925 . . . . 0.0 109.373 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.424 ' H ' HG12 ' A' ' 25' ' ' ILE . 17.2 mm -52.28 -56.69 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.317 -0.864 . . . . 0.0 109.579 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -51.77 -29.02 17.19 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.258 -0.901 . . . . 0.0 109.465 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 24' ' ' ILE . . . -71.57 -65.4 0.76 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.239 -0.913 . . . . 0.0 109.447 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.582 HD22 ' CD1' ' A' ' 122' ' ' TYR . 86.9 mt -52.7 -39.77 62.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.285 -0.885 . . . . 0.0 109.589 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.49 ' HA ' HD22 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -64.61 -56.74 11.95 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.233 -0.917 . . . . 0.0 109.417 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -52.43 -26.2 12.05 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.265 -0.897 . . . . 0.0 109.498 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.46 -37.48 74.29 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.246 -0.909 . . . . 0.0 109.636 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 123.83 18.18 2.97 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.551 -1.419 . . . . 0.0 109.551 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.2 p -46.98 168.93 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.25 -1.147 . . . . 0.0 109.644 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -119.49 92.31 45.79 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.341 -0.85 . . . . 0.0 109.35 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -53.62 -27.53 42.1 Favored 'Trans proline' 0 C--N 1.307 -1.613 0 C-N-CA 122.87 2.38 . . . . 0.0 112.511 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -79.05 10.55 3.38 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.173 -0.954 . . . . 0.0 109.741 -179.722 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.455 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -104.98 12.36 32.43 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.183 -0.948 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' A' ' 37' ' ' ALA . 9.2 tp 60.29 146.66 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.257 -0.902 . . . . 0.0 109.596 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.411 ' CD2' HD13 ' A' ' 92' ' ' LEU . 1.9 m-85 -130.75 153.92 48.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.399 -0.813 . . . . 0.0 109.476 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.477 ' C ' HD13 ' A' ' 41' ' ' ILE . 2.4 pt-20 -115.93 119.41 35.84 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.261 -0.9 . . . . 0.0 109.538 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.544 HD13 ' N ' ' A' ' 41' ' ' ILE . 3.4 mm -97.36 156.66 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.216 -0.927 . . . . 0.0 109.443 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -138.69 125.49 20.98 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.179 -0.95 . . . . 0.0 109.507 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -111.3 134.81 52.62 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.325 -0.859 . . . . 0.0 109.486 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -98.72 123.77 43.14 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.216 -0.927 . . . . 0.0 109.182 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 3.0 mp -132.75 135.84 45.98 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.105 -0.997 . . . . 0.0 109.713 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.723 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -123.41 154.43 39.04 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.233 -0.917 . . . . 0.0 109.502 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -131.68 -179.95 5.69 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.394 -0.816 . . . . 0.0 109.463 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -107.42 -33.61 7.31 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.323 -0.861 . . . . 0.0 109.552 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.43 139.08 49.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.223 -0.923 . . . . 0.0 109.482 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -62.29 -33.24 74.27 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.234 -0.916 . . . . 0.0 109.317 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -61.34 -68.79 0.28 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.24 -0.913 . . . . 0.0 109.444 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 55' ' ' LYS . 1.1 tpmt? -45.99 -46.34 16.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.198 -0.939 . . . . 0.0 109.262 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.468 ' C ' HD23 ' A' ' 53' ' ' LEU . 5.9 tt -44.55 -47.38 10.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.297 -0.877 . . . . 0.0 109.233 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 58' ' ' VAL . 7.5 tt0 -67.9 -26.64 66.09 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.273 -0.892 . . . . 0.0 109.315 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' LYS . 18.4 mmmt -72.08 -52.66 15.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.239 -0.913 . . . . 0.0 109.589 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.84 -37.78 79.39 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.227 -0.921 . . . . 0.0 109.682 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.41 ' HB1' HG21 ' A' ' 67' ' ' VAL . . . -67.45 -41.7 84.28 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.2 -0.937 . . . . 0.0 109.573 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 54' ' ' GLU . 2.9 t -58.06 -60.23 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.168 -0.957 . . . . 0.0 109.53 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.0 -36.66 40.55 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.273 -0.892 . . . . 0.0 109.557 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.88 -55.1 25.23 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.257 -0.902 . . . . 0.0 109.534 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -51.28 -49.14 61.8 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.257 -0.902 . . . . 0.0 109.565 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 63' ' ' MET . 1.3 ttpt -52.16 -55.49 20.68 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.223 -0.923 . . . . 0.0 109.51 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 62' ' ' LYS . 1.3 mtt -42.87 -41.02 3.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.234 -0.916 . . . . 0.0 109.518 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.14 19.89 0.46 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.56 ' CZ ' ' SD ' ' A' ' 88' ' ' MET . 12.5 m-85 -98.63 161.84 13.45 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.259 -1.142 . . . . 0.0 109.577 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -112.82 90.49 3.36 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.294 -0.879 . . . . 0.0 109.1 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.41 HG21 ' HB1' ' A' ' 57' ' ' ALA . 7.8 p -62.81 150.8 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.305 -0.872 . . . . 0.0 110.105 -179.405 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.635 ' N ' ' O ' ' A' ' 85' ' ' ASP . 10.4 tp -127.29 139.46 52.88 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.432 -0.792 . . . . 0.0 108.945 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 68' ' ' LEU . 7.6 mt-10 -42.16 154.67 0.05 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.161 -0.962 . . . . 0.0 109.88 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.422 ' HB1' ' N ' ' A' ' 83' ' ' CYS . . . -104.99 168.06 9.3 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.336 -0.853 . . . . 0.0 109.588 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.513 ' O ' ' C ' ' A' ' 72' ' ' GLU . 4.2 tt0 -133.29 108.57 8.82 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.27 -0.893 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.513 ' C ' ' O ' ' A' ' 71' ' ' GLU . 34.2 tt0 -37.68 113.99 0.31 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.22 -0.925 . . . . 0.0 109.481 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.502 HG23 ' N ' ' A' ' 74' ' ' GLU . 2.8 t -118.13 -124.27 0.28 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.227 -0.92 . . . . 0.0 109.38 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.502 ' N ' HG23 ' A' ' 73' ' ' THR . 1.5 pt-20 -177.87 150.4 0.63 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.363 -0.836 . . . . 0.0 109.434 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.547 ' C ' ' H ' ' A' ' 77' ' ' ASP . 29.9 t70 -80.99 52.86 1.85 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.239 -0.913 . . . . 0.0 109.52 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 53.49 4.14 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.242 -0.911 . . . . 0.0 109.527 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.547 ' H ' ' C ' ' A' ' 75' ' ' ASP . 0.4 OUTLIER -112.8 -38.41 4.57 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.131 -0.981 . . . . 0.0 109.513 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 132.7 0.04 4.48 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.654 -1.378 . . . . 0.0 109.654 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -66.28 171.8 4.47 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.174 -1.192 . . . . 0.0 109.378 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -117.13 123.64 47.25 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.203 -0.936 . . . . 0.0 109.689 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.41 HD12 ' C ' ' A' ' 81' ' ' LEU . 3.3 pp -153.36 160.46 42.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.278 -0.889 . . . . 0.0 109.29 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 mp -104.09 139.88 38.55 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.208 -0.933 . . . . 0.0 109.684 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.422 ' N ' ' HB1' ' A' ' 70' ' ' ALA . 2.5 t -125.98 103.3 7.67 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.383 -0.823 . . . . 0.0 109.329 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 4.0 p90 -91.95 155.74 17.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.158 -0.964 . . . . 0.0 109.025 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.635 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -114.93 147.42 40.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.168 -0.957 . . . . 0.0 110.141 -179.187 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -131.96 134.76 45.98 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.444 -0.785 . . . . 0.0 108.986 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.444 HG22 ' O ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -113.62 164.44 13.67 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.183 -0.948 . . . . 0.0 109.738 -179.732 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.56 ' SD ' ' CZ ' ' A' ' 65' ' ' PHE . 9.9 ttt -160.66 111.85 1.86 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.313 -0.867 . . . . 0.0 109.513 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.52 ' CD ' ' N ' ' A' ' 89' ' ' GLN . 2.0 mp0 -70.34 138.54 51.53 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.253 -0.904 . . . . 0.0 109.504 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.39 -162.23 1.46 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.261 -0.899 . . . . 0.0 109.455 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.565 ' O ' ' C ' ' A' ' 92' ' ' LEU . . . -117.34 47.85 1.44 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.232 -0.918 . . . . 0.0 109.675 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.565 ' C ' ' O ' ' A' ' 91' ' ' ALA . 2.5 tp 32.14 95.92 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.54 -0.725 . . . . 0.0 109.726 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.78 123.65 6.22 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.207 -0.933 . . . . 0.0 109.634 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.26 -37.93 67.89 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.313 -0.867 . . . . 0.0 109.45 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 41.2 mttp -63.2 -45.37 92.02 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.308 -0.87 . . . . 0.0 109.414 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 97' ' ' ILE . 4.5 tp -67.46 -64.2 0.9 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.287 -0.883 . . . . 0.0 109.313 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 96' ' ' LEU . 25.0 mt -42.35 -34.46 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.355 -0.841 . . . . 0.0 109.466 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.98 -48.8 67.37 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.261 -0.899 . . . . 0.0 109.539 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.418 ' C ' ' HZ3' ' A' ' 103' ' ' LYS . 7.5 mt-10 -61.96 -36.69 82.17 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.255 -0.903 . . . . 0.0 109.523 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -69.56 -50.64 42.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.228 -0.92 . . . . 0.0 109.65 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 22.7 t -61.69 -42.62 95.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.305 -0.872 . . . . 0.0 109.766 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -61.35 -39.53 90.94 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.308 -0.87 . . . . 0.0 109.745 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.418 ' HZ3' ' C ' ' A' ' 99' ' ' GLU . 29.3 mtmm -72.1 -36.58 69.5 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.106 -0.996 . . . . 0.0 109.628 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.41 -34.45 72.53 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.191 -0.943 . . . . 0.0 109.444 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.52 HG12 ' N ' ' A' ' 106' ' ' ASN . 2.7 t -67.07 -66.22 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.291 -0.881 . . . . 0.0 109.625 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.52 ' N ' HG12 ' A' ' 105' ' ' VAL . 7.1 m-80 -47.07 -42.47 18.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.211 -0.931 . . . . 0.0 109.796 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 108' ' ' ALA . 3.4 tt -64.48 -53.1 53.53 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.246 -0.909 . . . . 0.0 109.87 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.556 ' HB1' HG13 ' A' ' 113' ' ' ILE . . . -44.3 -57.04 3.72 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.226 -0.921 . . . . 0.0 109.757 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -60.0 -42.26 93.87 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.189 -0.945 . . . . 0.0 109.836 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -50.68 -32.97 20.82 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.141 -0.975 . . . . 0.0 109.566 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.546 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 10.6 m-85 -92.21 -74.97 0.5 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.255 -0.903 . . . . 0.0 109.591 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 1.4 m-20 160.64 35.76 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.284 -0.885 . . . . 0.0 109.424 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.556 HG13 ' HB1' ' A' ' 108' ' ' ALA . 5.3 pt -120.22 177.2 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.283 -0.885 . . . . 0.0 109.564 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.44 HG23 ' CD2' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -125.61 104.81 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.352 -0.843 . . . . 0.0 109.117 179.727 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.566 ' C ' ' CD1' ' A' ' 115' ' ' TYR . 0.8 OUTLIER -94.52 119.59 33.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.226 -0.921 . . . . 0.0 109.518 -179.681 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.481 ' N ' ' CD1' ' A' ' 115' ' ' TYR . 5.7 t70 -163.67 74.46 0.33 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.224 -0.922 . . . . 0.0 109.613 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 168.47 96.12 0.1 Allowed Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.708 -1.357 . . . . 0.0 109.708 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.405 ' CH2' HG23 ' A' ' 21' ' ' THR . 4.4 p-90 -122.96 138.55 54.65 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.187 -1.184 . . . . 0.0 109.644 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -133.56 159.25 23.59 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.0 t -127.65 150.7 49.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.143 -1.21 . . . . 0.0 109.633 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -91.67 129.2 37.68 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.278 -0.889 . . . . 0.0 109.277 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.582 ' CD1' HD22 ' A' ' 28' ' ' LEU . 76.1 t80 -103.82 132.21 50.29 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.258 -0.901 . . . . 0.0 109.601 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -86.2 97.72 10.52 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.276 -0.89 . . . . 0.0 109.381 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 147.74 56.16 0.02 OUTLIER Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.4 mt -148.27 85.58 1.53 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.207 -1.173 . . . . 0.0 109.359 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.426 ' H ' ' HG3' ' A' ' 126' ' ' GLU . 3.3 mt-10 -87.38 -148.13 0.15 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.262 -0.898 . . . . 0.0 109.515 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -151.96 120.57 6.48 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.261 -0.9 . . . . 0.0 109.511 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -177.79 -49.17 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.3 -0.875 . . . . 0.0 109.415 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -124.27 178.44 5.36 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.278 -0.889 . . . . 0.0 109.478 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.26 -166.04 1.12 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.225 -0.922 . . . . 0.0 109.52 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.739 ' ND1' ' N ' ' A' ' 131' ' ' HIS . 0.1 OUTLIER -108.87 63.9 0.61 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.263 -0.898 . . . . 0.0 109.424 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 15.7 m170 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 118.051 -0.976 . . . . 0.0 109.49 -179.96 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 mtm . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.283 0.563 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.03 90.99 3.48 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.19 -0.944 . . . . 0.0 109.486 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.489 ' O ' ' CB ' ' A' ' 4' ' ' GLN . 2.6 p-80 -53.35 -27.94 26.22 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.203 -0.935 . . . . 0.0 109.502 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 3' ' ' HIS . 11.2 tt0 73.76 156.41 0.17 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.514 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -87.91 -131.91 0.07 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.242 -0.911 . . . . 0.0 109.358 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.505 ' O ' ' O ' ' A' ' 7' ' ' TYR . 7.6 t70 -174.86 115.45 0.17 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.13 -0.981 . . . . 0.0 109.616 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.505 ' O ' ' O ' ' A' ' 6' ' ' ASP . 0.1 OUTLIER 44.41 98.23 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.333 -0.855 . . . . 0.0 109.859 179.83 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.657 ' O ' ' N ' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -116.65 -89.23 0.58 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.286 -0.884 . . . . 0.0 109.289 179.655 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.91 -58.56 0.12 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.284 -0.885 . . . . 0.0 109.549 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.657 ' N ' ' O ' ' A' ' 8' ' ' LEU . 6.5 m -48.02 -26.63 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.333 -0.854 . . . . 0.0 109.53 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -77.71 -33.49 53.05 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.217 -0.927 . . . . 0.0 109.424 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.406 ' H ' ' HG2' ' A' ' 12' ' ' GLU . 40.3 mm-40 -61.51 -53.7 52.93 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.211 -0.931 . . . . 0.0 109.331 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.0 mt -52.9 -50.38 64.03 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.33 -0.856 . . . . 0.0 109.232 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 78.6 mt -59.6 -30.41 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.335 -0.853 . . . . 0.0 109.557 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.7 -66.52 0.53 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.267 -0.895 . . . . 0.0 109.527 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.5 mt -52.05 -41.46 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.266 -0.896 . . . . 0.0 109.66 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.477 ' O ' ' C ' ' A' ' 18' ' ' LYS . 2.7 tp-100 -60.15 -60.43 3.83 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.183 -0.948 . . . . 0.0 109.669 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 17' ' ' GLN . 2.9 ttmt -40.49 -50.47 2.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.231 -0.918 . . . . 0.0 109.49 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.21 -50.44 70.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.265 -0.897 . . . . 0.0 109.618 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 21' ' ' THR . 30.5 tt0 -49.39 -62.79 1.35 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.225 -0.922 . . . . 0.0 109.343 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 20' ' ' GLU . 25.3 m -42.6 -53.77 4.27 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.173 -0.954 . . . . 0.0 109.315 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 21' ' ' THR . 24.4 ttp180 -43.53 -45.17 6.43 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.186 -0.946 . . . . 0.0 109.33 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -63.24 -39.02 93.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.275 -0.891 . . . . 0.0 109.473 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.472 ' O ' ' C ' ' A' ' 25' ' ' ILE . 39.0 mt -69.95 -64.31 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.216 -0.928 . . . . 0.0 109.401 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.472 ' C ' ' O ' ' A' ' 24' ' ' ILE . 19.1 mm -40.58 -44.31 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.259 -0.901 . . . . 0.0 109.192 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -56.04 -58.96 5.71 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.407 -0.808 . . . . 0.0 109.399 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 28' ' ' LEU . . . -46.28 -66.32 0.42 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.238 -0.914 . . . . 0.0 109.545 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.68 ' O ' ' N ' ' A' ' 32' ' ' GLY . 13.4 mt -43.02 -65.67 0.46 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.149 -0.969 . . . . 0.0 109.36 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.543 ' C ' ' O ' ' A' ' 28' ' ' LEU . 1.3 mm? -35.43 -52.33 0.63 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.239 -0.913 . . . . 0.0 109.393 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -61.29 -35.97 78.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.303 -0.873 . . . . 0.0 109.287 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.611 ' N ' ' O ' ' A' ' 28' ' ' LEU . 7.9 m-20 -140.05 56.92 1.62 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.28 -0.888 . . . . 0.0 109.498 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.68 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . 167.2 30.74 0.02 OUTLIER Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.716 -1.353 . . . . 0.0 109.716 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.6 t -62.4 -115.49 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.22 -1.165 . . . . 0.0 109.527 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.524 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 0.6 OUTLIER 45.96 50.67 8.39 Favored Pre-proline 0 N--CA 1.49 1.525 0 O-C-N 121.19 -0.944 . . . . 0.0 109.507 -179.878 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 34' ' ' ASP . 35.6 Cg_endo -68.14 -8.02 21.6 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.794 2.329 . . . . 0.0 111.881 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -82.31 3.93 25.79 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.26 -0.9 . . . . 0.0 109.314 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.44 -107.98 0.14 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.301 -0.874 . . . . 0.0 109.354 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -167.89 144.54 4.12 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.273 -0.892 . . . . 0.0 109.354 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.577 ' CE2' HD13 ' A' ' 92' ' ' LEU . 2.3 m-85 -127.02 126.38 43.02 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.307 -0.871 . . . . 0.0 109.446 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.472 ' C ' HD12 ' A' ' 41' ' ' ILE . 2.1 pt-20 -98.73 120.61 39.46 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.129 -0.982 . . . . 0.0 109.334 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.627 HD12 ' N ' ' A' ' 41' ' ' ILE . 1.5 mp -94.4 148.21 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.284 -0.885 . . . . 0.0 109.945 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -124.15 112.73 17.44 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.391 -0.818 . . . . 0.0 109.079 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.4 ' C ' ' CD2' ' A' ' 44' ' ' HIS . 99.3 m-70 -97.19 158.49 15.42 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.236 -0.915 . . . . 0.0 109.805 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.551 ' ND1' ' O ' ' A' ' 117' ' ' GLY . 3.2 m80 -133.03 105.83 7.3 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.384 -0.823 . . . . 0.0 109.463 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.66 ' H ' HD12 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -120.35 134.85 55.19 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.316 -0.865 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.625 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -117.1 155.63 28.98 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.217 -0.927 . . . . 0.0 109.8 -179.767 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -122.99 172.5 8.46 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.439 -0.788 . . . . 0.0 109.33 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -113.86 -12.13 12.75 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.232 -0.918 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -130.89 119.87 22.8 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.293 -0.879 . . . . 0.0 109.324 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.651 ' CE2' ' OD1' ' A' ' 51' ' ' ASP . 20.7 p90 -49.3 -26.61 3.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.241 -0.912 . . . . 0.0 109.471 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.651 ' OD1' ' CE2' ' A' ' 50' ' ' PHE . 67.6 m-20 -67.81 -71.31 0.21 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.303 -0.873 . . . . 0.0 109.525 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.42 ' HZ2' ' HB2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -53.82 -26.8 25.96 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.193 -0.942 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.789 ' C ' HD23 ' A' ' 53' ' ' LEU . 6.2 tt -59.48 -50.46 73.83 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.32 -0.862 . . . . 0.0 109.476 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -65.59 -32.12 73.53 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.215 -0.928 . . . . 0.0 109.713 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.03 -63.2 1.11 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.129 -0.982 . . . . 0.0 109.714 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.24 -34.93 70.99 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.197 -0.939 . . . . 0.0 109.885 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.99 -39.21 76.03 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.165 -0.959 . . . . 0.0 109.523 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.7 t -67.62 -49.02 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.251 -0.906 . . . . 0.0 109.589 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -54.67 44.47 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.239 -0.913 . . . . 0.0 109.529 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.56 -36.03 32.63 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.245 -0.909 . . . . 0.0 109.406 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -74.75 -32.88 62.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.29 -0.881 . . . . 0.0 109.307 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -62.33 -40.01 94.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.355 -0.841 . . . . 0.0 109.329 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.6 mtt -59.54 -51.38 70.08 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.205 -0.934 . . . . 0.0 109.342 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 150.12 34.84 0.04 OUTLIER Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -110.33 141.81 42.83 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.245 -1.15 . . . . 0.0 109.694 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.68 80.64 8.93 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.264 -0.897 . . . . 0.0 109.322 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.416 ' O ' HG13 ' A' ' 67' ' ' VAL . 5.5 p -61.74 127.46 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.14 -0.975 . . . . 0.0 109.616 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.647 ' N ' ' O ' ' A' ' 85' ' ' ASP . 5.1 tp -102.57 142.98 32.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.303 -0.873 . . . . 0.0 109.253 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 68' ' ' LEU . 2.9 mm-40 -43.65 163.79 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.223 -0.923 . . . . 0.0 109.567 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.5 ' HB1' ' N ' ' A' ' 83' ' ' CYS . . . -112.56 171.18 7.68 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.222 -0.924 . . . . 0.0 109.581 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -128.75 142.72 50.91 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.309 -0.869 . . . . 0.0 109.348 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -52.09 136.31 29.79 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.232 -0.917 . . . . 0.0 109.454 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.48 -171.56 2.29 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.318 -0.864 . . . . 0.0 109.493 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 178.45 145.47 0.13 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.284 -0.885 . . . . 0.0 109.352 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -96.63 -15.24 21.63 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.184 -0.948 . . . . 0.0 109.691 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -167.98 37.48 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.186 -0.946 . . . . 0.0 109.473 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 t70 60.13 28.56 18.13 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.258 -0.902 . . . . 0.0 109.376 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -132.46 -7.54 2.75 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -131.55 157.62 43.1 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.194 -1.18 . . . . 0.0 109.541 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -129.49 99.87 5.34 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.225 -0.922 . . . . 0.0 109.511 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 mt -106.47 174.9 5.69 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.349 -0.844 . . . . 0.0 109.517 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 mp -128.4 136.39 50.83 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.326 -0.859 . . . . 0.0 109.242 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.5 ' N ' ' HB1' ' A' ' 70' ' ' ALA . 16.1 m -124.73 100.1 6.47 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.216 -0.928 . . . . 0.0 109.942 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.547 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 2.2 p90 -90.78 143.5 26.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.171 -0.956 . . . . 0.0 108.743 179.341 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.647 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -103.04 161.97 13.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.131 -0.98 . . . . 0.0 110.044 -179.363 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -137.06 138.03 39.97 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.377 -0.827 . . . . 0.0 109.063 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.25 137.0 53.33 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.204 -0.935 . . . . 0.0 109.654 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.1 tpt -139.6 121.11 15.12 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.288 -0.882 . . . . 0.0 109.454 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -81.61 120.63 25.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.263 -0.898 . . . . 0.0 109.412 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.59 178.45 8.28 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.299 -0.876 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -91.4 142.44 27.68 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.135 -0.978 . . . . 0.0 109.42 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.577 HD13 ' CE2' ' A' ' 39' ' ' TYR . 9.6 tp -55.3 103.16 0.08 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.326 -0.859 . . . . 0.0 109.629 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -156.2 126.05 6.42 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.179 -0.951 . . . . 0.0 109.562 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.36 -40.5 94.52 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.279 -0.888 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -62.31 -56.41 18.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.274 -0.891 . . . . 0.0 109.192 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.7 mp -51.71 -43.74 62.93 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.242 -0.911 . . . . 0.0 109.008 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.488 ' O ' HG23 ' A' ' 101' ' ' VAL . 36.8 mt -64.58 -28.94 45.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.334 -0.854 . . . . 0.0 109.239 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -68.12 -52.84 30.31 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.34 -0.85 . . . . 0.0 109.573 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -59.65 -48.61 80.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.172 -0.955 . . . . 0.0 109.342 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -51.82 -52.64 47.73 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.298 -0.876 . . . . 0.0 109.435 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 97' ' ' ILE . 90.2 t -62.18 -59.29 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.236 -0.915 . . . . 0.0 109.629 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 101' ' ' VAL . 27.5 tt0 -44.18 -32.24 1.19 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.33 -0.856 . . . . 0.0 109.771 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -69.53 -49.53 53.62 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.275 -0.891 . . . . 0.0 109.519 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.444 HD22 HD21 ' A' ' 45' ' ' LEU . 23.2 mt -67.99 -25.15 65.27 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.29 -0.881 . . . . 0.0 109.452 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 101' ' ' VAL . 59.7 t -71.52 -54.52 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.235 -0.916 . . . . 0.0 109.386 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.0 -47.91 83.5 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.293 -0.879 . . . . 0.0 109.371 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.489 HD23 ' N ' ' A' ' 108' ' ' ALA . 1.5 tt -61.75 -45.75 92.58 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.301 -0.874 . . . . 0.0 109.535 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.489 ' N ' HD23 ' A' ' 107' ' ' LEU . . . -47.15 -57.44 5.12 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.15 -0.969 . . . . 0.0 109.481 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.661 ' N ' ' OE1' ' A' ' 109' ' ' GLU . 1.0 OUTLIER -66.93 -20.31 65.88 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.251 -0.906 . . . . 0.0 109.498 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -68.69 -30.69 69.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.169 -0.957 . . . . 0.0 109.494 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.543 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 10.4 m-85 -102.58 -75.52 0.6 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.193 -0.942 . . . . 0.0 109.544 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.543 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 1.9 m-20 162.25 45.89 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.28 -0.888 . . . . 0.0 109.47 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.2 pt -127.0 151.63 34.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.115 -0.99 . . . . 0.0 109.386 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.448 HG23 ' CD2' ' A' ' 46' ' ' PHE . 0.5 OUTLIER -98.01 110.17 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.308 -0.87 . . . . 0.0 109.609 -179.863 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.403 ' N ' HD12 ' A' ' 114' ' ' ILE . 15.5 t80 -89.73 127.62 35.97 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.246 -0.909 . . . . 0.0 109.338 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.466 ' CG ' ' O ' ' A' ' 116' ' ' ASP . 0.7 OUTLIER -178.12 81.16 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.127 -0.983 . . . . 0.0 109.488 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.551 ' O ' ' ND1' ' A' ' 44' ' ' HIS . . . 163.13 83.03 0.05 OUTLIER Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.464 ' O ' ' CG ' ' A' ' 118' ' ' TRP . 5.2 p-90 -121.35 132.23 54.65 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.266 -1.137 . . . . 0.0 109.281 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -139.48 165.1 25.87 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.09 150.83 48.27 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.334 -1.097 . . . . 0.0 109.363 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -113.53 134.29 54.77 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.239 -0.913 . . . . 0.0 109.469 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.433 ' O ' ' N ' ' A' ' 124' ' ' GLY . 21.6 t80 -73.95 107.44 6.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.346 -0.846 . . . . 0.0 109.394 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -47.58 97.73 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.304 -0.872 . . . . 0.0 109.536 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.569 ' O ' ' O ' ' A' ' 125' ' ' LEU . . . -160.03 -65.04 0.01 OUTLIER Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 124' ' ' GLY . 0.5 OUTLIER 45.91 102.86 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.186 -1.185 . . . . 0.0 109.612 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.13 -154.55 0.45 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.267 -0.896 . . . . 0.0 109.489 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -91.7 93.09 8.73 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.303 -0.873 . . . . 0.0 109.506 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.485 ' O ' ' CG ' ' A' ' 129' ' ' HIS . 1.8 t-80 -168.56 161.17 11.41 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.358 -0.839 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.485 ' CG ' ' O ' ' A' ' 128' ' ' HIS . 1.8 m-70 177.31 -30.38 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.112 -0.993 . . . . 0.0 109.737 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 131' ' ' HIS . 18.6 p-80 -156.29 106.4 2.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.197 -0.94 . . . . 0.0 109.465 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 130' ' ' HIS . 33.1 m170 43.09 -104.57 0.06 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.206 -0.934 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 1.7 m80 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 118.033 -0.984 . . . . 0.0 109.417 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.519 ' O ' ' C ' ' A' ' 3' ' ' HIS . 0.8 OUTLIER -148.65 148.28 29.91 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.223 -0.923 . . . . 0.0 109.544 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.519 ' C ' ' O ' ' A' ' 2' ' ' SER . 7.7 m-70 -36.35 115.05 0.33 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.232 -0.917 . . . . 0.0 109.57 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -125.85 -122.74 0.25 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.259 -0.901 . . . . 0.0 109.449 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -109.18 -129.94 0.29 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.244 -0.91 . . . . 0.0 109.476 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -159.76 109.74 1.87 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.158 -0.964 . . . . 0.0 109.694 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -101.57 -176.47 3.15 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.251 -0.906 . . . . 0.0 109.377 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.583 ' O ' ' CB ' ' A' ' 9' ' ' SER . 0.5 OUTLIER -111.84 -76.09 0.6 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.199 -0.938 . . . . 0.0 109.218 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.583 ' CB ' ' O ' ' A' ' 8' ' ' LEU . 0.8 OUTLIER 80.35 -59.6 0.3 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.23 -0.919 . . . . 0.0 109.588 179.8 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.9 m -52.55 -26.79 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.188 -0.945 . . . . 0.0 109.632 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 12' ' ' GLU . 1.0 OUTLIER -70.0 -65.06 0.77 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.268 -0.895 . . . . 0.0 109.354 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.532 ' CD ' ' H ' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -44.03 -57.58 3.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.233 -0.917 . . . . 0.0 109.359 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 14' ' ' ILE . 62.7 mt -50.95 -60.44 3.08 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.224 -0.923 . . . . 0.0 109.415 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 13' ' ' LEU . 49.7 mt -45.3 -47.66 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.275 -0.89 . . . . 0.0 109.541 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.16 -51.0 65.71 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.261 -0.9 . . . . 0.0 109.292 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 83.4 mt -62.29 -24.34 34.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.232 -0.917 . . . . 0.0 109.177 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -73.75 -40.39 63.53 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.343 -0.848 . . . . 0.0 109.158 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -63.81 -33.72 76.3 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.141 -0.974 . . . . 0.0 109.101 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 20' ' ' GLU . 20.6 mt-10 -72.89 -68.87 0.45 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.338 -0.851 . . . . 0.0 109.3 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 19' ' ' GLU . 1.2 tt0 -39.51 -65.39 0.39 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.25 -0.906 . . . . 0.0 109.345 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.519 ' O ' ' C ' ' A' ' 22' ' ' ARG . 2.7 m -44.07 -68.23 0.21 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.288 -0.882 . . . . 0.0 109.33 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.538 ' CG ' HH11 ' A' ' 22' ' ' ARG . 0.0 OUTLIER -37.53 -43.19 0.58 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.348 -0.845 . . . . 0.0 109.267 179.748 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.35 -46.7 87.5 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.222 -0.924 . . . . 0.0 109.59 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.486 ' O ' ' C ' ' A' ' 25' ' ' ILE . 74.7 mt -66.65 -59.4 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.3 -0.875 . . . . 0.0 109.271 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.486 ' C ' ' O ' ' A' ' 24' ' ' ILE . 9.0 mm -39.78 -47.24 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.214 -0.929 . . . . 0.0 109.285 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -57.92 -45.75 86.05 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.303 -0.873 . . . . 0.0 109.551 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . -61.63 -43.56 98.63 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.255 -0.903 . . . . 0.0 109.661 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.5 mt -65.67 -63.9 0.99 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.191 -0.943 . . . . 0.0 109.62 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 30' ' ' GLU . 1.6 mp -50.09 -62.38 1.61 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.163 -0.961 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.526 ' C ' ' OE1' ' A' ' 30' ' ' GLU . 0.7 OUTLIER -41.99 -50.33 4.6 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.186 -0.946 . . . . 0.0 109.334 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.416 ' N ' ' OE1' ' A' ' 30' ' ' GLU . 8.6 t70 -52.69 -43.52 65.66 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.241 -0.912 . . . . 0.0 109.505 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.51 ' O ' ' C ' ' A' ' 33' ' ' SER . . . 134.87 6.55 2.23 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.854 -1.299 . . . . 0.0 109.854 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.51 ' C ' ' O ' ' A' ' 32' ' ' GLY . 65.0 p -38.3 157.02 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.068 -1.254 . . . . 0.0 109.367 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -122.05 91.77 48.9 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.218 -0.926 . . . . 0.0 109.446 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -61.5 2.82 0.44 Allowed 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.954 2.436 . . . . 0.0 112.25 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -86.06 -19.4 30.31 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.19 -0.944 . . . . 0.0 109.693 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.574 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -95.98 25.05 5.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.166 -0.959 . . . . 0.0 109.619 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.574 ' O ' ' O ' ' A' ' 37' ' ' ALA . 3.4 mt 56.59 146.08 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.148 -0.97 . . . . 0.0 109.409 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.405 ' CD1' HD12 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -117.92 167.96 10.95 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.255 -0.903 . . . . 0.0 109.462 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -121.92 135.19 54.86 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.237 -0.915 . . . . 0.0 109.505 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.463 HD12 ' N ' ' A' ' 41' ' ' ILE . 5.2 mp -128.89 151.46 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.288 -0.882 . . . . 0.0 109.4 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.93 150.3 52.19 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.213 -0.929 . . . . 0.0 109.742 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -125.32 153.52 43.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.282 -0.886 . . . . 0.0 109.241 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -118.25 110.17 17.22 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.186 -0.946 . . . . 0.0 109.805 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.644 ' N ' HD12 ' A' ' 45' ' ' LEU . 4.0 mp -124.13 130.81 53.18 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.246 -0.909 . . . . 0.0 109.209 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.717 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -118.8 163.06 17.44 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.102 -0.998 . . . . 0.0 109.899 -179.78 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.575 ' HB2' HG22 ' A' ' 113' ' ' ILE . . . -142.07 177.67 8.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.374 -0.829 . . . . 0.0 109.212 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.704 ' CD ' ' H ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -121.79 -4.73 9.16 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.256 -0.902 . . . . 0.0 109.561 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.533 ' O ' ' C ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -125.09 107.42 10.77 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.196 -0.94 . . . . 0.0 109.548 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.533 ' C ' ' O ' ' A' ' 49' ' ' ASP . 89.2 t80 -36.6 -45.63 0.53 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.208 -0.932 . . . . 0.0 109.365 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.561 ' CG ' ' NZ ' ' A' ' 55' ' ' LYS . 14.9 t0 -61.79 -69.01 0.27 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.235 -0.916 . . . . 0.0 109.234 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 51' ' ' ASP . 3.0 tppt? -40.7 -32.24 0.2 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.264 -0.897 . . . . 0.0 109.229 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.603 ' C ' HD23 ' A' ' 53' ' ' LEU . 6.5 tt -66.99 -51.11 59.19 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.27 -0.893 . . . . 0.0 109.382 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.595 ' O ' HG23 ' A' ' 58' ' ' VAL . 12.3 mt-10 -60.93 -40.97 95.24 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.233 -0.917 . . . . 0.0 109.572 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.561 ' NZ ' ' CG ' ' A' ' 51' ' ' ASP . 47.5 mttp -54.85 -63.85 1.02 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.284 -0.885 . . . . 0.0 109.677 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.66 -45.41 85.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.267 -0.896 . . . . 0.0 109.566 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.94 -64.24 0.88 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.315 -0.866 . . . . 0.0 109.62 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 54' ' ' GLU . 62.1 t -44.73 -44.21 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.199 -0.938 . . . . 0.0 109.452 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.79 -43.65 85.76 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.231 -0.918 . . . . 0.0 109.332 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.57 -45.2 84.22 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.288 -0.882 . . . . 0.0 109.438 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.579 ' O ' ' CD1' ' A' ' 61' ' ' PHE . 5.2 t80 -66.7 -19.64 65.8 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.24 -0.912 . . . . 0.0 109.529 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.5 tttm -77.79 -38.34 46.86 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.196 -0.94 . . . . 0.0 109.375 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 17.8 mtm -68.46 -49.98 55.86 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.261 -0.9 . . . . 0.0 109.483 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 158.19 -16.14 0.29 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.706 -1.358 . . . . 0.0 109.706 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.491 ' CE2' ' SD ' ' A' ' 88' ' ' MET . 57.1 m-85 -64.95 131.47 46.72 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.295 -1.121 . . . . 0.0 109.692 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -86.07 102.17 13.6 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.288 -0.882 . . . . 0.0 109.167 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 9.5 p -63.31 139.71 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.2 -0.937 . . . . 0.0 109.796 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.67 ' N ' ' O ' ' A' ' 85' ' ' ASP . 4.9 mp -111.95 138.74 48.16 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.415 -0.803 . . . . 0.0 109.081 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 68' ' ' LEU . 2.6 mm-40 -41.23 146.95 0.16 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.248 -0.907 . . . . 0.0 109.896 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.73 -179.92 5.03 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.41 -0.806 . . . . 0.0 109.391 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.505 ' O ' ' C ' ' A' ' 72' ' ' GLU . 0.9 OUTLIER -145.16 107.08 4.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.247 -0.908 . . . . 0.0 109.296 179.879 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.602 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -37.91 114.25 0.34 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.237 -0.915 . . . . 0.0 109.189 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.615 ' OG1' ' N ' ' A' ' 74' ' ' GLU . 1.1 t -133.28 -159.68 0.99 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.203 -0.935 . . . . 0.0 109.413 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.615 ' N ' ' OG1' ' A' ' 73' ' ' THR . 0.6 OUTLIER -147.54 163.66 35.88 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.242 -0.911 . . . . 0.0 109.442 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.403 ' O ' ' CB ' ' A' ' 76' ' ' GLU . 0.8 OUTLIER -133.72 28.07 3.94 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.333 -0.854 . . . . 0.0 109.133 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 75' ' ' ASP . 1.2 tt0 69.51 0.96 3.14 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.387 -0.821 . . . . 0.0 109.273 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 78' ' ' GLY . 58.6 p30 -150.4 -11.43 0.25 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.377 -0.827 . . . . 0.0 109.356 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.647 ' O ' ' N ' ' A' ' 80' ' ' LYS . . . -100.7 -24.89 8.93 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 60.33 -64.72 0.05 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.367 -1.078 . . . . 0.0 109.681 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.647 ' N ' ' O ' ' A' ' 78' ' ' GLY . 5.0 tttp -134.21 106.11 6.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.2 -0.937 . . . . 0.0 109.742 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.552 ' C ' HD12 ' A' ' 82' ' ' LEU . 3.3 pp -141.53 173.06 11.86 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.325 -0.86 . . . . 0.0 109.284 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.644 ' N ' HD12 ' A' ' 82' ' ' LEU . 7.1 mp -112.99 136.83 52.24 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.211 -0.93 . . . . 0.0 109.411 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.568 ' SG ' ' O ' ' A' ' 83' ' ' CYS . 30.5 p -126.7 102.27 6.99 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.277 -0.889 . . . . 0.0 109.626 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.483 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 6.7 p90 -94.69 149.14 21.55 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.222 -0.924 . . . . 0.0 109.194 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.67 ' O ' ' N ' ' A' ' 68' ' ' LEU . 3.3 t70 -113.27 147.21 38.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.16 -0.963 . . . . 0.0 109.99 -179.501 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.423 ' HB1' ' HB3' ' A' ' 65' ' ' PHE . . . -126.38 142.9 51.36 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.269 -0.894 . . . . 0.0 109.101 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.2 166.63 12.03 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.191 -0.943 . . . . 0.0 109.881 -179.565 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.491 ' SD ' ' CE2' ' A' ' 65' ' ' PHE . 14.6 ttm -167.23 135.1 2.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.322 -0.861 . . . . 0.0 109.208 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -92.58 146.52 23.6 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.156 -0.965 . . . . 0.0 109.729 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 90.7 p -154.38 -178.16 6.95 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.324 -0.86 . . . . 0.0 109.259 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.539 ' O ' ' C ' ' A' ' 92' ' ' LEU . . . -99.28 43.48 1.06 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.215 -0.928 . . . . 0.0 109.672 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.539 ' C ' ' O ' ' A' ' 91' ' ' ALA . 0.6 OUTLIER 36.11 93.2 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.278 -0.889 . . . . 0.0 109.496 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.499 ' O ' ' C ' ' A' ' 94' ' ' ALA . 0.4 OUTLIER -160.29 110.5 1.82 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.314 -0.866 . . . . 0.0 109.406 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.527 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -38.49 -68.42 0.16 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.203 -0.935 . . . . 0.0 109.492 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.527 ' C ' ' O ' ' A' ' 94' ' ' ALA . 41.1 tttp -34.26 -43.87 0.17 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.307 -0.87 . . . . 0.0 109.757 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.4 mp -69.9 -58.02 4.36 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.17 -0.956 . . . . 0.0 109.609 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 30.1 mt -49.45 -24.51 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.239 -0.913 . . . . 0.0 109.515 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.93 -57.57 3.88 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.275 -0.891 . . . . 0.0 109.614 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -55.87 -40.06 72.4 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.219 -0.926 . . . . 0.0 109.679 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.551 ' N ' ' OE1' ' A' ' 100' ' ' GLN . 2.1 mp0 -68.08 -53.23 27.06 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.203 -0.936 . . . . 0.0 109.711 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.529 HG13 ' CE2' ' A' ' 115' ' ' TYR . 10.2 t -57.83 -33.48 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.192 -0.942 . . . . 0.0 109.578 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -66.35 -39.26 89.07 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.245 -0.909 . . . . 0.0 109.513 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -60.79 -51.68 68.3 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.271 -0.893 . . . . 0.0 109.401 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 17.1 mt -61.28 -25.06 66.84 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.237 -0.915 . . . . 0.0 109.421 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 106' ' ' ASN . 3.1 t -72.94 -61.8 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.248 -0.907 . . . . 0.0 109.508 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.421 ' N ' HG12 ' A' ' 105' ' ' VAL . 11.6 m-20 -55.2 -42.18 72.95 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.212 -0.93 . . . . 0.0 109.576 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.7 tp -66.33 -52.21 49.48 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.293 -0.88 . . . . 0.0 109.425 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.432 ' HB1' HG13 ' A' ' 113' ' ' ILE . . . -47.54 -56.36 7.27 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.328 -0.857 . . . . 0.0 110.137 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -66.64 -40.6 88.79 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.159 -0.963 . . . . 0.0 110.06 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -50.35 -28.48 8.05 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.189 -0.944 . . . . 0.0 109.919 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.5 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 9.0 m-85 -100.03 -74.73 0.59 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.092 -1.005 . . . . 0.0 109.519 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.9 OUTLIER 165.08 34.34 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.263 -0.898 . . . . 0.0 109.232 -179.797 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.575 HG22 ' HB2' ' A' ' 47' ' ' ALA . 30.7 pt -124.48 156.76 32.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.365 -0.834 . . . . 0.0 109.37 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.455 HG23 ' CE2' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -106.07 144.07 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.21 -0.931 . . . . 0.0 109.751 -179.658 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.671 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 2.0 t80 -120.04 90.23 3.29 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.333 -0.854 . . . . 0.0 109.144 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -136.57 78.9 1.73 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.185 -0.947 . . . . 0.0 109.492 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 167.02 79.79 0.04 OUTLIER Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.414 ' CD2' ' C ' ' A' ' 118' ' ' TRP . 3.3 p-90 -118.68 140.25 50.22 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.241 -1.152 . . . . 0.0 109.409 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -154.81 169.93 33.04 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.69 138.71 46.0 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.284 -1.127 . . . . 0.0 109.344 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -66.6 136.2 55.25 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.209 -0.932 . . . . 0.0 109.611 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -87.23 125.85 34.45 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.324 -0.86 . . . . 0.0 109.38 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -82.42 96.46 7.99 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.163 -0.961 . . . . 0.0 109.448 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 166.4 -76.02 0.14 Allowed Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.501 -1.439 . . . . 0.0 109.501 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.589 ' O ' ' O ' ' A' ' 126' ' ' GLU . 0.8 OUTLIER 48.29 78.2 0.09 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.244 -1.15 . . . . 0.0 109.567 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.589 ' O ' ' O ' ' A' ' 125' ' ' LEU . 2.0 mm-40 44.68 103.89 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.316 -0.865 . . . . 0.0 109.79 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.662 ' ND1' ' O ' ' A' ' 127' ' ' HIS . 5.3 t-80 -122.53 77.3 1.41 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.129 -0.982 . . . . 0.0 109.394 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -80.76 -78.82 0.17 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.233 -0.917 . . . . 0.0 109.603 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -176.87 22.68 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.259 -0.901 . . . . 0.0 109.507 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -128.3 0.13 5.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.319 -0.863 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.441 ' O ' ' CG ' ' A' ' 132' ' ' HIS . 42.8 t60 -71.09 145.28 49.95 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.298 -0.876 . . . . 0.0 109.388 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' HIS . . . . . 0.441 ' CG ' ' O ' ' A' ' 131' ' ' HIS . 7.2 m-70 . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.586 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.2 mtt . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 3' ' ' HIS . 62.8 p -106.16 54.65 0.68 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.228 -0.92 . . . . 0.0 109.663 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.531 ' O ' ' N ' ' A' ' 5' ' ' ASP . 18.2 t60 43.95 73.8 0.14 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.187 -0.945 . . . . 0.0 109.508 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.418 ' C ' ' H ' ' A' ' 6' ' ' ASP . 57.0 mt-30 -61.61 76.13 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.202 -0.936 . . . . 0.0 109.428 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 3' ' ' HIS . 0.6 OUTLIER -73.18 42.54 0.12 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.168 -0.957 . . . . 0.0 109.507 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.534 ' O ' ' C ' ' A' ' 7' ' ' TYR . 7.6 t0 -155.79 -27.67 0.1 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.22 -0.925 . . . . 0.0 109.456 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.534 ' C ' ' O ' ' A' ' 6' ' ' ASP . 6.8 m-85 36.1 67.7 0.29 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.24 -0.913 . . . . 0.0 109.481 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tp -134.95 78.16 1.72 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.302 -0.874 . . . . 0.0 109.476 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.32 -66.94 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.315 -0.866 . . . . 0.0 109.292 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.9 m -51.31 -24.7 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.252 -0.905 . . . . 0.0 109.288 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -74.67 -29.44 61.23 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.308 -0.87 . . . . 0.0 109.318 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.438 ' H ' ' HG2' ' A' ' 12' ' ' GLU . 24.1 mm-40 -71.53 -55.41 7.88 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.353 -0.842 . . . . 0.0 109.351 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.408 ' H ' ' HG ' ' A' ' 13' ' ' LEU . 31.2 mt -49.83 -52.44 32.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.308 -0.87 . . . . 0.0 109.241 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.41 -37.27 50.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.334 -0.854 . . . . 0.0 109.502 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.51 -57.21 7.8 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.371 -0.83 . . . . 0.0 109.756 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 67.9 mt -47.77 -54.43 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.28 -0.888 . . . . 0.0 109.681 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.422 ' O ' ' OG1' ' A' ' 21' ' ' THR . 1.0 OUTLIER -65.63 -18.4 65.29 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.178 -0.951 . . . . 0.0 109.693 -179.706 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -66.41 -45.58 79.47 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.132 -0.98 . . . . 0.0 109.184 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -74.02 -55.1 6.54 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.383 -0.823 . . . . 0.0 109.508 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -53.87 -46.02 71.19 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.216 -0.928 . . . . 0.0 109.656 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 17' ' ' GLN . 37.7 m -55.39 -50.74 68.95 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.224 -0.922 . . . . 0.0 109.548 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.713 ' CG ' HH11 ' A' ' 22' ' ' ARG . 0.0 OUTLIER -53.19 -43.87 67.51 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.213 -0.929 . . . . 0.0 109.614 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -59.16 -47.95 83.41 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.217 -0.927 . . . . 0.0 109.682 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 95.0 mt -58.32 -67.13 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.23 -0.919 . . . . 0.0 109.608 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.475 HD12 ' N ' ' A' ' 25' ' ' ILE . 1.4 mp -46.08 -44.11 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.159 -0.963 . . . . 0.0 109.493 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.565 ' O ' ' N ' ' A' ' 29' ' ' LEU . 14.9 mm-40 -50.9 -65.94 0.47 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.284 -0.885 . . . . 0.0 109.478 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 26' ' ' GLN . . . -39.0 -45.11 1.16 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.257 -0.902 . . . . 0.0 109.549 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 mt -64.94 -31.81 73.22 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.27 -0.894 . . . . 0.0 109.726 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.565 ' N ' ' O ' ' A' ' 26' ' ' GLN . 1.5 mp -71.04 -54.78 9.96 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.106 -0.996 . . . . 0.0 109.466 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -60.15 -18.95 51.35 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.206 -0.933 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -80.56 -30.37 37.01 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.272 -0.893 . . . . 0.0 109.506 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.14 16.56 2.35 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.439 ' HG ' ' HH ' ' A' ' 39' ' ' TYR . 38.4 t -66.93 131.06 45.11 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -1.165 . . . . 0.0 109.448 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -103.19 146.23 32.06 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.366 -0.833 . . . . 0.0 109.393 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -71.63 -11.15 27.72 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.788 2.325 . . . . 0.0 112.316 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.42 ' C ' ' OD1' ' A' ' 36' ' ' ASP . 56.5 p30 -100.82 1.67 40.37 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.193 -0.942 . . . . 0.0 109.554 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.482 ' O ' ' CB ' ' A' ' 38' ' ' LEU . . . -80.71 -25.04 38.38 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.266 -0.896 . . . . 0.0 109.464 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.482 ' CB ' ' O ' ' A' ' 37' ' ' ALA . 1.2 tp 73.98 140.9 0.06 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.189 -0.945 . . . . 0.0 109.202 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.456 ' CD1' ' HB2' ' A' ' 92' ' ' LEU . 10.4 m-85 -127.12 164.85 20.69 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.273 -0.892 . . . . 0.0 109.753 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -111.31 101.2 9.69 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.292 -0.88 . . . . 0.0 109.312 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.438 ' N ' HD13 ' A' ' 41' ' ' ILE . 7.9 mm -74.85 131.12 35.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.267 -0.895 . . . . 0.0 109.584 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 119' ' ' GLY . 9.0 pt-20 -123.0 118.25 27.35 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.247 -0.908 . . . . 0.0 109.529 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.48 ' CD2' ' CD1' ' A' ' 104' ' ' LEU . 87.8 m-70 -103.55 155.51 18.48 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.256 -0.902 . . . . 0.0 109.48 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.25 104.88 6.68 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.243 -0.91 . . . . 0.0 109.549 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 mp -115.65 152.15 33.68 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.294 -0.878 . . . . 0.0 109.237 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.693 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -133.8 163.82 28.63 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.09 -1.006 . . . . 0.0 109.845 -179.716 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.566 ' HB2' HG22 ' A' ' 113' ' ' ILE . . . -149.13 176.67 10.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.372 -0.83 . . . . 0.0 109.284 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -112.69 -28.83 7.65 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.161 -0.962 . . . . 0.0 109.419 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 50' ' ' PHE . 1.2 m-20 -98.66 100.63 11.88 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.261 -0.899 . . . . 0.0 109.535 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' A' ' 49' ' ' ASP . 71.2 t80 -41.86 -42.96 2.86 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.182 -0.948 . . . . 0.0 109.452 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -60.32 3.57 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.189 -0.944 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.36 -21.86 38.52 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.288 -0.882 . . . . 0.0 109.406 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.462 ' C ' HD23 ' A' ' 53' ' ' LEU . 5.3 tt -69.09 -53.49 20.04 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.228 -0.92 . . . . 0.0 109.495 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.591 ' O ' HG23 ' A' ' 58' ' ' VAL . 1.8 mm-40 -63.1 -23.97 67.69 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.283 -0.885 . . . . 0.0 109.329 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -69.03 -60.8 2.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.285 -0.884 . . . . 0.0 109.227 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.23 86.75 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.23 -0.919 . . . . 0.0 109.227 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.5 -48.9 76.19 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.265 -0.897 . . . . 0.0 109.122 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 54' ' ' GLU . 11.0 t -55.14 -46.75 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.241 -0.912 . . . . 0.0 109.227 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.548 ' O ' ' OE1' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -63.39 -34.42 77.7 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.286 -0.884 . . . . 0.0 109.335 179.857 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.498 ' O ' ' C ' ' A' ' 61' ' ' PHE . . . -69.75 -64.82 0.81 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.265 -0.897 . . . . 0.0 109.374 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.498 ' C ' ' O ' ' A' ' 60' ' ' ALA . 62.8 t80 -40.17 -39.43 0.91 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.26 -0.9 . . . . 0.0 109.167 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -65.32 -46.76 79.02 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.272 -0.893 . . . . 0.0 109.299 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 60' ' ' ALA . 7.5 tpp -45.75 -42.95 12.58 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.367 -0.833 . . . . 0.0 109.39 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.4 8.78 0.7 Allowed Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.755 ' CZ ' ' SD ' ' A' ' 88' ' ' MET . 8.9 m-85 -94.1 164.42 13.07 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.267 -1.137 . . . . 0.0 109.482 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -106.47 94.8 5.34 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.372 -0.83 . . . . 0.0 109.279 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' ' 67' ' ' VAL . 14.1 p -61.58 134.69 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.249 -0.907 . . . . 0.0 109.606 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.656 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -111.54 141.46 45.09 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.302 -0.874 . . . . 0.0 109.36 179.821 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 68' ' ' LEU . 5.9 mm-40 -44.39 158.37 0.05 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.272 -0.893 . . . . 0.0 109.445 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.96 177.67 5.03 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.238 -0.914 . . . . 0.0 109.534 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.597 ' O ' ' N ' ' A' ' 73' ' ' THR . 6.2 tt0 -144.09 106.98 4.47 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.202 -0.936 . . . . 0.0 109.491 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.525 ' C ' ' O ' ' A' ' 71' ' ' GLU . 14.1 mt-10 -36.33 93.81 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.275 -0.891 . . . . 0.0 109.292 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.597 ' N ' ' O ' ' A' ' 71' ' ' GLU . 7.9 t -111.01 -161.33 0.75 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.249 -0.907 . . . . 0.0 109.753 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.57 ' C ' ' H ' ' A' ' 76' ' ' GLU . 12.7 pt-20 -163.5 148.21 10.89 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.256 -0.902 . . . . 0.0 109.428 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.601 ' C ' ' H ' ' A' ' 77' ' ' ASP . 38.5 t0 -68.35 32.3 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.143 -0.973 . . . . 0.0 109.294 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.57 ' H ' ' C ' ' A' ' 74' ' ' GLU . 6.5 tt0 57.02 -2.7 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.336 -0.853 . . . . 0.0 109.294 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.601 ' H ' ' C ' ' A' ' 75' ' ' ASP . 0.4 OUTLIER -89.19 -19.33 25.58 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.306 -0.871 . . . . 0.0 109.412 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.497 ' C ' ' OD1' ' A' ' 79' ' ' ASN . . . 108.81 51.63 0.69 Allowed Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.681 ' N ' ' OD1' ' A' ' 79' ' ' ASN . 0.3 OUTLIER -127.53 -162.81 1.2 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.339 -1.095 . . . . 0.0 109.372 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.36 126.74 11.49 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.281 -0.887 . . . . 0.0 109.411 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.45 146.36 13.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.257 -0.902 . . . . 0.0 109.599 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.596 ' N ' HD12 ' A' ' 82' ' ' LEU . 7.0 mp -84.69 137.18 33.39 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.289 -0.882 . . . . 0.0 109.29 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 23.6 t -129.28 101.25 5.91 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.182 -0.949 . . . . 0.0 109.772 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.535 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 2.5 p90 -91.97 146.14 23.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.189 -0.945 . . . . 0.0 108.941 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.656 ' O ' ' N ' ' A' ' 68' ' ' LEU . 2.6 t70 -106.67 156.52 18.53 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.26 -0.9 . . . . 0.0 110.112 -179.307 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -127.4 152.65 47.24 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.31 147.0 51.98 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.048 -1.033 . . . . 0.0 109.967 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.755 ' SD ' ' CZ ' ' A' ' 65' ' ' PHE . 3.4 ttt -154.79 104.81 2.54 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.411 -0.806 . . . . 0.0 109.306 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.03 113.14 7.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.268 -0.895 . . . . 0.0 109.488 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 24.4 p -141.82 -179.45 6.2 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.203 -0.936 . . . . 0.0 109.455 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.39 -175.11 0.76 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.236 -0.915 . . . . 0.0 109.542 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.456 ' HB2' ' CD1' ' A' ' 39' ' ' TYR . 40.7 tp -113.45 102.38 10.26 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.301 -0.875 . . . . 0.0 109.4 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -160.85 143.07 12.51 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.256 -0.903 . . . . 0.0 109.513 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.9 -50.31 50.71 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.306 -0.871 . . . . 0.0 109.517 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.43 ' O ' ' OE2' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -52.37 -51.05 61.02 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.247 -0.908 . . . . 0.0 109.35 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.541 ' CD2' HE22 ' A' ' 100' ' ' GLN . 0.8 OUTLIER -60.61 -35.6 76.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.316 -0.865 . . . . 0.0 109.316 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 16.5 mt -71.67 -21.14 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.373 -0.829 . . . . 0.0 109.531 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -77.53 -37.24 51.3 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.261 -0.899 . . . . 0.0 109.234 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.43 ' OE2' ' O ' ' A' ' 95' ' ' LYS . 0.7 OUTLIER -68.63 -48.36 64.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.201 -0.937 . . . . 0.0 109.336 179.805 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.571 ' N ' ' OE1' ' A' ' 100' ' ' GLN . 0.1 OUTLIER -61.13 -51.78 67.63 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.263 -0.898 . . . . 0.0 109.026 179.717 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.663 HG13 ' CZ ' ' A' ' 115' ' ' TYR . 78.7 t -60.89 -27.63 41.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.358 -0.839 . . . . 0.0 109.185 179.527 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -64.11 -42.8 96.73 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.286 -0.884 . . . . 0.0 109.157 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -63.07 -45.05 93.99 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.288 -0.882 . . . . 0.0 109.046 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.48 ' CD1' ' CD2' ' A' ' 43' ' ' HIS . 38.9 mt -65.64 -28.36 69.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.343 -0.848 . . . . 0.0 109.487 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.9 t -71.92 -57.31 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.264 -0.898 . . . . 0.0 109.588 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -61.93 -51.46 68.02 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.324 -0.86 . . . . 0.0 109.944 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.84 -46.27 74.6 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.152 -0.968 . . . . 0.0 109.761 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.46 ' HB1' HG13 ' A' ' 113' ' ' ILE . . . -59.79 -51.04 71.44 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.203 -0.936 . . . . 0.0 109.91 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.63 -22.63 67.02 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.155 -0.966 . . . . 0.0 109.731 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -78.71 -24.42 44.95 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.13 -0.981 . . . . 0.0 109.395 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.587 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 7.0 m-85 -95.19 -72.72 0.61 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.281 -0.887 . . . . 0.0 109.32 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.587 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 1.2 m-20 158.99 34.04 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.326 -0.858 . . . . 0.0 109.479 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.566 HG22 ' HB2' ' A' ' 47' ' ' ALA . 2.1 pt -125.08 168.85 17.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.211 -0.931 . . . . 0.0 109.247 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.2 tt -111.58 151.37 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.149 -0.97 . . . . 0.0 109.588 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.663 ' CZ ' HG13 ' A' ' 101' ' ' VAL . 14.3 t80 -116.98 96.05 5.28 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.292 -0.88 . . . . 0.0 109.345 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -150.7 87.14 1.41 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.209 -0.932 . . . . 0.0 109.578 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 156.44 70.11 0.01 OUTLIER Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 7.7 p-90 -116.12 159.8 21.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.223 -1.163 . . . . 0.0 109.536 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.43 ' O ' ' CG ' ' A' ' 42' ' ' GLU . . . -167.81 169.95 41.56 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 5.0 t -136.64 138.53 41.24 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.238 -1.154 . . . . 0.0 109.41 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -89.75 149.03 22.91 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.29 -0.881 . . . . 0.0 109.675 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.678 ' CD2' ' O ' ' A' ' 123' ' ' GLU . 44.8 t80 -110.06 165.43 11.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.217 -0.927 . . . . 0.0 109.486 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.678 ' O ' ' CD2' ' A' ' 122' ' ' TYR . 21.0 mt-10 -77.62 -173.25 2.9 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.27 -0.894 . . . . 0.0 109.497 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 93.74 -163.75 26.1 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.401 ' O ' ' CB ' ' A' ' 126' ' ' GLU . 10.3 mt 60.49 60.39 1.99 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.108 -1.23 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 125' ' ' LEU . 0.7 OUTLIER 68.72 77.55 0.23 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.313 -0.867 . . . . 0.0 109.14 -179.711 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 28.4 t60 -157.68 91.18 1.13 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.182 -0.949 . . . . 0.0 109.588 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.684 ' ND1' ' N ' ' A' ' 128' ' ' HIS . 0.1 OUTLIER -111.34 127.17 55.56 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.186 -0.946 . . . . 0.0 109.477 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.746 ' CG ' ' H ' ' A' ' 130' ' ' HIS . 57.6 t-80 -91.87 -173.35 3.47 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.29 -0.882 . . . . 0.0 109.564 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.746 ' H ' ' CG ' ' A' ' 129' ' ' HIS . 2.6 t60 -59.37 166.17 2.42 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.279 -0.888 . . . . 0.0 109.524 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.69 -84.44 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.229 -0.919 . . . . 0.0 109.418 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 17.1 m170 . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.513 -179.848 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 tpt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.71 -167.61 1.91 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.278 -0.889 . . . . 0.0 109.413 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -139.38 121.03 15.26 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.333 -0.855 . . . . 0.0 109.361 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 47.43 24.52 0.49 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.187 -0.946 . . . . 0.0 109.22 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.545 ' O ' ' N ' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -149.23 108.06 3.86 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.267 -0.896 . . . . 0.0 109.342 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.577 ' C ' ' CG ' ' A' ' 7' ' ' TYR . 2.0 m-20 -49.44 89.63 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.243 -0.91 . . . . 0.0 109.729 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.577 ' CG ' ' C ' ' A' ' 6' ' ' ASP . 0.5 OUTLIER 37.76 -163.35 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.245 -0.91 . . . . 0.0 109.646 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mt -135.38 99.64 4.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.266 -0.896 . . . . 0.0 109.576 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.564 ' O ' ' N ' ' A' ' 11' ' ' GLU . 1.9 p -167.49 -89.55 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.274 -0.891 . . . . 0.0 109.34 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.604 ' O ' HD12 ' A' ' 14' ' ' ILE . 2.5 m -40.28 -24.57 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.177 -0.952 . . . . 0.0 109.269 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.564 ' N ' ' O ' ' A' ' 9' ' ' SER . 43.9 tt0 -71.88 -53.32 13.56 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.322 -0.861 . . . . 0.0 109.562 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.81 -58.55 6.47 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.271 -0.893 . . . . 0.0 109.723 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.507 ' N ' HD23 ' A' ' 13' ' ' LEU . 6.2 mt -46.68 -46.2 19.9 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.305 -0.872 . . . . 0.0 109.971 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.604 HD12 ' O ' ' A' ' 10' ' ' VAL . 41.3 mt -57.66 -69.26 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.202 -0.936 . . . . 0.0 109.779 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.512 ' OE2' ' O ' ' A' ' 11' ' ' GLU . 0.7 OUTLIER -44.92 -41.54 7.3 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.155 -0.966 . . . . 0.0 109.763 -179.77 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.0 mt -61.07 -43.57 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.218 -0.926 . . . . 0.0 109.808 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -73.25 -13.58 61.17 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.192 -0.943 . . . . 0.0 109.738 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' CE ' ' OD2' ' A' ' 98' ' ' ASP . 15.2 mttt -78.7 -42.23 28.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.2 -0.938 . . . . 0.0 109.571 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -74.34 -43.47 56.46 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.24 -0.913 . . . . 0.0 109.53 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -60.94 -51.99 66.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.238 -0.913 . . . . 0.0 109.571 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.48 ' O ' ' C ' ' A' ' 22' ' ' ARG . 30.9 m -54.93 -59.47 4.69 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.242 -0.912 . . . . 0.0 109.703 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 21' ' ' THR . 0.5 OUTLIER -39.48 -49.91 2.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.243 -0.911 . . . . 0.0 109.61 -179.804 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -55.14 -43.54 74.28 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.2 -0.938 . . . . 0.0 109.723 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 25' ' ' ILE . 62.4 mt -65.02 -63.41 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.309 -0.87 . . . . 0.0 109.786 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.465 ' N ' HD13 ' A' ' 25' ' ' ILE . 5.6 mm -42.52 -50.37 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.199 -0.938 . . . . 0.0 109.703 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -57.68 -56.47 21.47 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.2 -0.937 . . . . 0.0 109.353 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.03 -51.25 13.96 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.322 -0.861 . . . . 0.0 109.647 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.575 ' O ' ' N ' ' A' ' 31' ' ' ASP . 7.9 mp -52.25 -61.47 2.25 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.173 -0.955 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 28' ' ' LEU . 2.6 mt -43.13 -49.52 6.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.224 -0.923 . . . . 0.0 109.192 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.88 -24.66 58.65 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.273 -0.892 . . . . 0.0 109.131 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.575 ' N ' ' O ' ' A' ' 28' ' ' LEU . 15.0 m-20 -81.25 -13.67 58.26 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.34 -0.85 . . . . 0.0 109.227 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.49 ' O ' ' OD1' ' A' ' 34' ' ' ASP . . . 93.34 13.09 56.48 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.729 -1.348 . . . . 0.0 109.729 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.2 t -61.98 84.89 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.149 -1.207 . . . . 0.0 109.405 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.49 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -50.14 131.9 23.72 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.232 -0.917 . . . . 0.0 109.406 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -71.38 -4.18 14.45 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 C-N-CA 122.507 2.138 . . . . 0.0 112.073 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -83.97 -5.43 59.22 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.332 -0.855 . . . . 0.0 109.405 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.57 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -91.77 7.96 39.35 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.194 -0.941 . . . . 0.0 109.641 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.57 ' O ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER 54.61 157.06 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.175 -0.953 . . . . 0.0 109.183 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -135.93 141.97 44.56 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.092 -1.005 . . . . 0.0 109.862 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -98.82 116.27 30.68 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.367 -0.833 . . . . 0.0 109.293 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mm -99.4 140.21 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.27 -0.894 . . . . 0.0 109.423 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -126.58 146.17 50.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.198 -0.939 . . . . 0.0 109.43 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.557 ' CD2' ' N ' ' A' ' 43' ' ' HIS . 2.2 m-70 -126.27 147.05 49.77 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.228 -0.92 . . . . 0.0 109.61 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -114.02 125.95 54.57 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.277 -0.89 . . . . 0.0 109.33 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.422 ' HB2' ' CE2' ' A' ' 84' ' ' PHE . 4.3 mp -133.83 136.2 44.28 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.209 -0.932 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.506 ' CD1' ' N ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -121.11 163.45 18.39 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.18 -0.95 . . . . 0.0 109.828 -179.788 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.82 179.99 7.08 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.43 -0.794 . . . . 0.0 109.447 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -122.38 -29.65 4.09 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.251 -0.906 . . . . 0.0 109.68 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.52 ' O ' ' C ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -107.7 101.17 10.5 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.177 -0.952 . . . . 0.0 109.619 -179.837 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.575 ' CE2' HD11 ' A' ' 82' ' ' LEU . 0.7 OUTLIER -34.61 -42.25 0.14 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.316 -0.865 . . . . 0.0 109.697 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -52.51 -76.12 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.156 -0.965 . . . . 0.0 109.38 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.39 -25.55 0.67 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.19 -0.943 . . . . 0.0 109.366 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.603 ' O ' HD23 ' A' ' 53' ' ' LEU . 3.3 tt -66.6 -55.98 12.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.36 -0.838 . . . . 0.0 109.566 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.542 ' O ' HG23 ' A' ' 58' ' ' VAL . 11.4 tt0 -60.96 -30.91 70.53 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.242 -0.912 . . . . 0.0 109.679 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -67.39 -59.42 3.41 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.136 -0.978 . . . . 0.0 109.587 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.54 -37.23 83.03 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.233 -0.917 . . . . 0.0 109.609 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.61 -48.75 76.03 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.209 -0.932 . . . . 0.0 109.607 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 54' ' ' GLU . 41.0 t -54.45 -49.2 67.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.233 -0.917 . . . . 0.0 109.656 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.535 ' O ' ' C ' ' A' ' 60' ' ' ALA . 2.0 tp10 -57.91 -62.73 1.6 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.22 -0.925 . . . . 0.0 109.623 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.535 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . -34.79 -43.85 0.2 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.344 -0.848 . . . . 0.0 109.675 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -68.18 -57.73 5.56 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.146 -0.971 . . . . 0.0 109.533 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.5 mtpt -50.63 -20.77 1.3 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.236 -0.915 . . . . 0.0 109.584 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.7 tpp -74.68 -52.37 11.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.087 -1.008 . . . . 0.0 109.445 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 151.19 36.78 0.03 OUTLIER Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.511 -1.435 . . . . 0.0 109.511 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.624 ' CE2' ' SD ' ' A' ' 88' ' ' MET . 10.6 m-85 -124.0 156.58 36.18 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.349 -1.089 . . . . 0.0 109.607 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 67' ' ' VAL . 75.0 mt-10 -96.0 70.69 2.88 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.299 -0.876 . . . . 0.0 109.18 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 66' ' ' GLU . 7.2 p -44.54 156.78 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.316 -0.865 . . . . 0.0 109.707 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.67 ' N ' ' O ' ' A' ' 85' ' ' ASP . 1.3 tp -138.08 136.22 36.57 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.397 -0.814 . . . . 0.0 109.247 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 68' ' ' LEU . 5.6 mt-10 -44.55 162.65 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.157 -0.965 . . . . 0.0 109.611 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.461 ' HB1' ' H ' ' A' ' 83' ' ' CYS . . . -109.93 -179.92 3.93 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.26 -0.9 . . . . 0.0 109.465 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -135.11 -171.58 2.84 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.21 -0.931 . . . . 0.0 109.502 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -104.4 102.44 12.1 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.258 -0.901 . . . . 0.0 109.436 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.459 ' OG1' ' N ' ' A' ' 74' ' ' GLU . 8.0 t -123.17 -154.28 0.6 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.251 -0.905 . . . . 0.0 109.658 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.459 ' N ' ' OG1' ' A' ' 73' ' ' THR . 3.3 tt0 -152.93 135.12 14.91 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.236 -0.915 . . . . 0.0 109.343 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.468 ' C ' ' H ' ' A' ' 77' ' ' ASP . 5.2 t70 -78.93 172.72 13.39 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.237 -0.915 . . . . 0.0 109.519 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.58 4.36 0.4 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.236 -0.915 . . . . 0.0 109.415 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.468 ' H ' ' C ' ' A' ' 75' ' ' ASP . 16.2 t70 -96.8 -27.69 14.6 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.281 -0.887 . . . . 0.0 109.571 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.52 45.1 2.38 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -134.26 129.84 36.23 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.254 -1.145 . . . . 0.0 109.668 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -68.56 137.03 53.98 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.277 -0.889 . . . . 0.0 109.35 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.493 ' H ' HD12 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -154.93 -163.54 1.59 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.196 -0.94 . . . . 0.0 109.581 -179.908 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.575 HD11 ' CE2' ' A' ' 50' ' ' PHE . 2.4 mp -126.62 143.07 51.34 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.249 -0.907 . . . . 0.0 109.74 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.461 ' H ' ' HB1' ' A' ' 70' ' ' ALA . 7.8 m -135.36 109.85 8.51 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.412 -0.805 . . . . 0.0 109.67 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.627 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 1.0 OUTLIER -97.43 154.49 17.44 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.269 -0.895 . . . . 0.0 109.231 179.631 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.67 ' O ' ' N ' ' A' ' 68' ' ' LEU . 10.0 t70 -116.85 159.33 22.54 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.189 -0.944 . . . . 0.0 109.765 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -137.68 142.94 41.09 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.368 -0.833 . . . . 0.0 109.153 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.47 152.09 35.75 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.188 -0.945 . . . . 0.0 109.726 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.624 ' SD ' ' CE2' ' A' ' 65' ' ' PHE . 7.6 ttt -148.9 140.08 23.13 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.43 -0.794 . . . . 0.0 109.145 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.615 ' CD ' ' N ' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -107.78 116.24 31.59 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.093 -1.004 . . . . 0.0 109.573 -179.862 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.459 ' OG ' HD23 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -150.8 155.76 39.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.25 -0.906 . . . . 0.0 109.284 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.69 155.81 21.71 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.173 -0.954 . . . . 0.0 109.278 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.6 tp -72.53 98.74 2.36 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.188 -0.945 . . . . 0.0 109.444 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -146.0 127.69 15.24 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.145 -0.972 . . . . 0.0 109.607 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.9 -34.06 77.26 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.188 -0.945 . . . . 0.0 109.266 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -57.96 -51.28 70.31 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.303 -0.873 . . . . 0.0 109.184 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 98' ' ' ASP . 8.6 tp -64.04 -68.5 0.35 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.284 -0.885 . . . . 0.0 109.11 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.535 ' C ' ' O ' ' A' ' 96' ' ' LEU . 91.6 mt -36.4 -32.51 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.257 -0.902 . . . . 0.0 109.22 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.535 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -66.65 -56.45 10.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.264 -0.898 . . . . 0.0 109.297 179.908 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -63.56 -37.31 86.84 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.266 -0.896 . . . . 0.0 109.149 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -58.33 -53.58 56.74 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.33 -0.856 . . . . 0.0 109.137 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' A' ' 102' ' ' GLU . 21.1 t -66.09 -58.88 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.361 -0.837 . . . . 0.0 109.329 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 101' ' ' VAL . 21.8 tt0 -39.5 -32.72 0.13 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.212 -0.93 . . . . 0.0 109.335 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 101' ' ' VAL . 3.2 mmtt -76.13 -60.6 2.26 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.279 -0.888 . . . . 0.0 109.229 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.426 HD11 ' CE2' ' A' ' 65' ' ' PHE . 27.8 mt -50.38 -23.72 2.56 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.279 -0.888 . . . . 0.0 109.332 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 78.1 t -75.29 -61.2 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.327 -0.858 . . . . 0.0 109.376 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -49.88 -47.71 51.79 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.174 -0.954 . . . . 0.0 109.271 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 108' ' ' ALA . 0.8 OUTLIER -57.29 -57.5 12.34 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.229 -0.919 . . . . 0.0 109.464 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.496 ' HB1' HG13 ' A' ' 113' ' ' ILE . . . -41.44 -62.41 0.87 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.132 -0.98 . . . . 0.0 109.562 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -55.3 -38.4 68.6 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.319 -0.863 . . . . 0.0 109.717 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.4 tttp -50.37 -35.68 29.09 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.152 -0.968 . . . . 0.0 109.652 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 77.8 m-85 -96.54 -77.12 0.49 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.23 -0.919 . . . . 0.0 109.725 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.7 OUTLIER 166.02 32.42 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.252 -0.905 . . . . 0.0 109.601 -179.911 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.496 HG13 ' HB1' ' A' ' 108' ' ' ALA . 25.1 pt -115.94 174.85 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.222 -0.924 . . . . 0.0 109.281 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 115' ' ' TYR . 0.6 OUTLIER -118.22 146.15 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.248 -0.907 . . . . 0.0 109.751 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.692 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 1.3 t80 -114.88 100.11 7.97 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.438 -0.789 . . . . 0.0 108.959 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -150.84 82.87 1.34 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.18 -0.95 . . . . 0.0 109.642 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 161.54 73.06 0.02 OUTLIER Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.739 -1.345 . . . . 0.0 109.739 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.417 ' HZ2' HD12 ' A' ' 24' ' ' ILE . 5.4 p-90 -118.02 155.8 29.67 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.208 -1.172 . . . . 0.0 109.341 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 170.97 156.14 11.25 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 5.3 t -113.35 176.55 4.97 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.258 -1.142 . . . . 0.0 109.486 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.517 ' O ' ' C ' ' A' ' 122' ' ' TYR . 0.7 OUTLIER -105.54 122.28 45.69 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.185 -0.947 . . . . 0.0 109.545 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.517 ' C ' ' O ' ' A' ' 121' ' ' TYR . 21.9 t80 -36.86 142.51 0.1 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.218 -0.926 . . . . 0.0 109.488 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.13 127.68 35.73 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.285 -0.884 . . . . 0.0 109.562 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 126' ' ' GLU . . . 76.78 68.67 1.49 Allowed Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.691 -1.363 . . . . 0.0 109.691 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 12.1 mt -66.05 76.92 0.09 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.228 -1.16 . . . . 0.0 109.503 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 124' ' ' GLY . 10.0 mt-10 -95.42 -170.99 2.28 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.175 -0.953 . . . . 0.0 109.495 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.533 ' ND1' ' N ' ' A' ' 127' ' ' HIS . 0.3 OUTLIER -108.11 -56.88 2.18 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.242 -0.911 . . . . 0.0 109.546 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.475 ' ND1' ' HB2' ' A' ' 127' ' ' HIS . 16.2 m80 -101.56 -160.44 0.79 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.185 -0.947 . . . . 0.0 109.532 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -140.58 -45.61 0.41 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.337 -0.852 . . . . 0.0 109.149 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.596 ' ND1' ' N ' ' A' ' 130' ' ' HIS . 0.1 OUTLIER -88.25 122.59 31.96 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.338 -0.852 . . . . 0.0 109.414 179.825 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.537 ' ND1' ' N ' ' A' ' 131' ' ' HIS . 5.5 p-80 -103.89 99.55 9.32 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.22 -0.925 . . . . 0.0 109.577 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 117.978 -1.011 . . . . 0.0 109.413 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.307 0.575 . . . . 0.0 109.52 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.453 ' O ' ' O ' ' A' ' 3' ' ' HIS . 3.2 m -152.96 138.95 18.14 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.304 -0.872 . . . . 0.0 109.23 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.453 ' O ' ' O ' ' A' ' 2' ' ' SER . 18.7 m170 46.76 -171.3 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.112 -0.993 . . . . 0.0 109.139 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -101.12 -46.06 5.19 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.172 -0.955 . . . . 0.0 109.477 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -96.59 107.18 19.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.17 -0.956 . . . . 0.0 109.464 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.636 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 0.4 OUTLIER -86.31 -169.87 2.83 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.297 -0.877 . . . . 0.0 109.393 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.564 ' C ' HD23 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -115.34 117.27 29.96 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.249 -0.907 . . . . 0.0 109.619 -179.81 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.835 HD23 ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -105.1 170.78 7.67 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.237 -0.914 . . . . 0.0 109.418 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.56 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.9 OUTLIER -166.84 95.44 0.51 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.156 -0.965 . . . . 0.0 109.573 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.497 ' C ' ' O ' ' A' ' 9' ' ' SER . 33.9 m -39.2 -26.88 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.187 -0.945 . . . . 0.0 109.156 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -71.78 -59.7 2.61 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.328 -0.857 . . . . 0.0 109.327 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.457 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 5.2 pt-20 -58.32 -29.55 65.99 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.143 -0.973 . . . . 0.0 109.172 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 14' ' ' ILE . 77.5 mt -72.83 -61.82 1.67 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.194 -0.941 . . . . 0.0 108.979 179.382 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' LEU . 10.5 mt -43.74 -43.83 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.435 -0.791 . . . . 0.0 109.321 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -56.08 -58.43 7.95 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.209 -0.932 . . . . 0.0 109.192 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.9 mt -51.06 -51.41 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.318 -0.864 . . . . 0.0 109.387 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.53 -48.09 66.3 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.296 -0.878 . . . . 0.0 109.389 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.17 -47.66 71.76 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.163 -0.961 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 20' ' ' GLU . 1.7 mm-40 -56.48 -68.73 0.19 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.289 -0.882 . . . . 0.0 109.45 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' A' ' 21' ' ' THR . 40.2 mt-10 -43.61 -63.33 0.86 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.265 -0.897 . . . . 0.0 109.143 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.504 ' O ' ' C ' ' A' ' 22' ' ' ARG . 9.0 m -38.91 -66.97 0.24 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.32 -0.862 . . . . 0.0 109.35 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.504 ' C ' ' O ' ' A' ' 21' ' ' THR . 0.6 OUTLIER -38.8 -48.82 1.57 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.233 -0.917 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -55.81 -54.7 41.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.295 -0.878 . . . . 0.0 109.485 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.453 ' O ' ' C ' ' A' ' 25' ' ' ILE . 83.0 mt -58.11 -64.35 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.243 -0.91 . . . . 0.0 109.459 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.453 ' C ' ' O ' ' A' ' 24' ' ' ILE . 15.8 mm -41.27 -46.53 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.277 -0.89 . . . . 0.0 109.604 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -57.82 -43.0 85.48 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.279 -0.888 . . . . 0.0 109.747 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.64 -43.74 98.04 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.152 -0.968 . . . . 0.0 109.712 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.2 mt -60.7 -51.88 67.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.226 -0.921 . . . . 0.0 109.721 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' A' ' 29' ' ' LEU . 5.2 mt -56.68 -55.83 29.17 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.185 -0.947 . . . . 0.0 109.521 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -49.26 -28.56 4.8 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.346 -0.847 . . . . 0.0 109.434 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -72.72 -18.08 61.56 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.271 -0.893 . . . . 0.0 109.45 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.461 ' O ' ' O ' ' A' ' 33' ' ' SER . . . 79.43 37.73 23.26 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.59 ' OG ' ' N ' ' A' ' 34' ' ' ASP . 2.0 p -60.71 -143.4 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.268 -1.136 . . . . 0.0 109.465 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.59 ' N ' ' OG ' ' A' ' 33' ' ' SER . 0.6 OUTLIER -144.15 69.99 16.2 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.194 -0.942 . . . . 0.0 109.546 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -54.64 -8.3 1.2 Allowed 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.816 2.344 . . . . 0.0 112.141 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -83.59 -24.55 31.47 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.274 -0.891 . . . . 0.0 109.632 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.503 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -86.92 28.57 0.89 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.188 -0.945 . . . . 0.0 109.504 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.503 ' O ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER 55.14 162.51 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.169 -0.957 . . . . 0.0 109.251 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.74 167.99 18.55 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.241 -0.912 . . . . 0.0 109.54 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -123.19 124.79 43.82 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.333 -0.854 . . . . 0.0 109.49 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.489 HD12 ' N ' ' A' ' 41' ' ' ILE . 1.8 mp -104.6 154.16 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.21 -0.931 . . . . 0.0 109.37 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.403 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 17.2 tt0 -133.33 118.76 18.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.28 -0.887 . . . . 0.0 109.605 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -102.06 152.48 20.93 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.361 -0.837 . . . . 0.0 109.36 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.66 ' C ' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -123.46 129.97 52.01 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.267 -0.895 . . . . 0.0 109.338 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.66 HD12 ' C ' ' A' ' 44' ' ' HIS . 5.7 mp -141.7 138.3 32.33 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.232 -0.917 . . . . 0.0 109.456 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.694 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -125.87 171.69 10.5 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.24 -0.912 . . . . 0.0 109.594 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.846 ' HB2' HG22 ' A' ' 113' ' ' ILE . . . -154.59 172.62 17.55 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.397 -0.814 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -112.75 -23.5 10.13 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.297 -0.877 . . . . 0.0 109.326 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.52 ' O ' ' C ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -102.38 91.9 4.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.268 -0.895 . . . . 0.0 109.264 179.868 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.701 ' CD1' ' N ' ' A' ' 51' ' ' ASP . 1.3 p90 -37.16 -42.67 0.46 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.207 -0.933 . . . . 0.0 109.481 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.701 ' N ' ' CD1' ' A' ' 50' ' ' PHE . 54.3 t0 -55.14 -66.79 0.35 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.26 -0.9 . . . . 0.0 109.379 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.49 -32.74 28.49 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.165 -0.96 . . . . 0.0 109.272 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.615 ' O ' HD23 ' A' ' 53' ' ' LEU . 4.6 tt -58.76 -52.24 66.56 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.261 -0.899 . . . . 0.0 109.476 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -57.12 -35.16 69.13 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.306 -0.871 . . . . 0.0 109.698 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -62.86 -68.39 0.34 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.194 -0.941 . . . . 0.0 110.003 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.42 ' HB2' ' CG ' ' A' ' 111' ' ' PHE . . . -56.45 -21.71 27.31 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.162 -0.961 . . . . 0.0 110.17 -179.41 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.05 -51.59 10.07 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.041 -1.037 . . . . 0.0 109.68 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.9 t -59.1 -27.21 35.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.323 -0.861 . . . . 0.0 109.873 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.61 -52.22 12.34 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.078 -1.014 . . . . 0.0 109.446 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.36 -42.35 81.88 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.195 -0.94 . . . . 0.0 109.395 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -65.2 -36.99 85.9 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.277 -0.89 . . . . 0.0 109.341 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -74.5 -17.76 60.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.276 -0.89 . . . . 0.0 109.456 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 5.5 ttm -76.4 -52.14 10.47 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.286 -0.883 . . . . 0.0 109.381 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 159.26 1.04 0.08 OUTLIER Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.431 -1.467 . . . . 0.0 109.431 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -83.66 169.04 15.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.266 -1.137 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -115.9 81.63 1.63 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.203 -0.936 . . . . 0.0 109.156 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.0 p -55.93 139.93 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.333 -0.855 . . . . 0.0 110.031 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.671 ' N ' ' O ' ' A' ' 85' ' ' ASP . 1.0 OUTLIER -118.87 140.07 50.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.413 -0.804 . . . . 0.0 108.886 179.597 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 68' ' ' LEU . 17.1 mt-10 -42.22 149.77 0.15 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.15 -0.969 . . . . 0.0 109.502 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.453 ' HB1' ' H ' ' A' ' 83' ' ' CYS . . . -95.37 175.48 6.56 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.286 -0.884 . . . . 0.0 109.795 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.529 ' O ' ' C ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -132.32 98.09 4.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.432 -0.793 . . . . 0.0 109.413 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.529 ' C ' ' O ' ' A' ' 71' ' ' GLU . 19.3 mt-10 -36.8 109.18 0.09 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.262 -0.899 . . . . 0.0 109.485 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.691 HG22 ' SG ' ' A' ' 83' ' ' CYS . 8.9 t -140.38 -150.63 0.33 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.253 -0.904 . . . . 0.0 109.428 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -143.59 156.09 44.48 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.25 -0.906 . . . . 0.0 109.536 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.457 ' CG ' ' H ' ' A' ' 76' ' ' GLU . 17.4 t0 -95.63 -154.88 0.45 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.247 -0.908 . . . . 0.0 109.496 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.457 ' H ' ' CG ' ' A' ' 75' ' ' ASP . 28.5 tp10 -84.68 28.5 0.67 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.253 -0.904 . . . . 0.0 109.464 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.565 ' OD1' ' O ' ' A' ' 77' ' ' ASP . 1.6 t0 -131.61 -22.64 2.4 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.242 -0.911 . . . . 0.0 109.471 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 97.74 15.15 37.91 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -90.37 125.65 35.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.238 -1.154 . . . . 0.0 109.535 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -72.46 132.09 43.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.271 -0.893 . . . . 0.0 109.229 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.43 -169.3 3.1 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.172 -0.955 . . . . 0.0 109.737 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.521 ' N ' HD12 ' A' ' 82' ' ' LEU . 4.6 mp -121.72 142.3 50.31 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.28 -0.887 . . . . 0.0 109.428 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.691 ' SG ' HG22 ' A' ' 73' ' ' THR . 0.0 OUTLIER -133.28 105.22 6.85 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.259 -0.901 . . . . 0.0 109.78 -179.853 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.616 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 1.0 OUTLIER -93.83 155.74 17.04 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.165 -0.959 . . . . 0.0 109.207 179.684 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.671 ' O ' ' N ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -111.67 147.56 35.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.213 -0.929 . . . . 0.0 109.877 -179.571 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -126.77 122.47 34.9 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.248 -0.908 . . . . 0.0 109.278 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.96 158.25 16.67 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.232 -0.917 . . . . 0.0 109.679 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 2.1 ttm -159.5 142.41 14.08 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.243 -0.91 . . . . 0.0 109.484 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . 0.426 ' OE1' ' N ' ' A' ' 89' ' ' GLN . 0.8 OUTLIER -92.4 121.08 33.53 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.129 -0.982 . . . . 0.0 109.326 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.81 154.23 38.1 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.284 -0.885 . . . . 0.0 109.534 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.14 152.71 43.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.207 -0.933 . . . . 0.0 109.489 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.1 tp -70.21 118.49 13.11 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.299 -0.876 . . . . 0.0 109.613 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.476 ' HB2' HD22 ' A' ' 96' ' ' LEU . 6.7 m-20 -172.23 135.21 0.75 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.279 -0.888 . . . . 0.0 109.367 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.502 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -65.36 -68.74 0.34 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.252 -0.905 . . . . 0.0 109.458 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 94' ' ' ALA . 0.3 OUTLIER -37.12 -39.68 0.26 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.291 -0.88 . . . . 0.0 109.423 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.476 HD22 ' HB2' ' A' ' 93' ' ' ASP . 2.8 mp -60.61 -61.27 2.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.296 -0.878 . . . . 0.0 109.454 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.546 ' O ' HG23 ' A' ' 101' ' ' VAL . 19.3 mt -55.02 -28.48 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.215 -0.928 . . . . 0.0 109.612 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -64.38 -54.5 31.87 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.199 -0.938 . . . . 0.0 109.385 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -61.22 -45.6 93.9 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.215 -0.928 . . . . 0.0 109.412 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -56.06 -59.17 5.29 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.204 -0.935 . . . . 0.0 109.449 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.629 HG13 ' CZ ' ' A' ' 115' ' ' TYR . 97.9 t -50.27 -53.44 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.195 -0.941 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 101' ' ' VAL . 23.8 tt0 -41.58 -43.71 2.81 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.259 -0.901 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -66.88 -58.43 5.02 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.294 -0.879 . . . . 0.0 109.396 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 32.2 mt -50.56 -18.67 0.72 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.283 -0.885 . . . . 0.0 109.077 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 101' ' ' VAL . 95.8 t -84.97 -69.21 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.388 -0.82 . . . . 0.0 109.229 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -47.47 -34.45 7.37 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.19 -0.944 . . . . 0.0 108.976 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.04 -51.76 23.47 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.416 -0.802 . . . . 0.0 109.186 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.417 ' HB1' HG13 ' A' ' 113' ' ' ILE . . . -53.78 -54.38 39.01 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.281 -0.887 . . . . 0.0 109.13 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -58.76 -29.95 67.17 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.357 -0.839 . . . . 0.0 109.357 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.72 -29.6 70.16 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.304 -0.872 . . . . 0.0 109.375 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.593 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 58.9 m-85 -100.63 -77.42 0.54 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.25 -0.906 . . . . 0.0 109.392 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.593 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 1.3 m-20 158.99 36.19 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.252 -0.905 . . . . 0.0 109.735 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.846 HG22 ' HB2' ' A' ' 47' ' ' ALA . 6.0 pt -114.64 156.15 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.077 -1.015 . . . . 0.0 109.449 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.458 HG23 ' CE2' ' A' ' 46' ' ' PHE . 1.0 OUTLIER -97.95 106.62 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.298 -0.876 . . . . 0.0 109.768 -179.581 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 115' ' ' TYR . . . . . 0.629 ' CZ ' HG13 ' A' ' 101' ' ' VAL . 2.5 t80 -85.29 109.19 18.19 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.187 -0.945 . . . . 0.0 109.228 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.482 ' OD1' ' C ' ' A' ' 116' ' ' ASP . 36.6 t0 -164.57 85.1 0.42 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.188 -0.945 . . . . 0.0 109.467 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 160.75 72.69 0.02 OUTLIER Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 7.1 p-90 -118.04 143.76 46.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.241 -1.152 . . . . 0.0 109.395 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -169.48 174.63 43.83 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.1 t -144.29 171.09 14.79 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.179 -1.189 . . . . 0.0 109.474 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.533 ' O ' ' C ' ' A' ' 122' ' ' TYR . 13.7 p90 -134.94 144.14 47.27 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.316 -0.865 . . . . 0.0 109.398 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.533 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.2 OUTLIER -34.38 122.05 0.5 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.31 -0.868 . . . . 0.0 109.612 -179.724 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -93.43 51.53 1.62 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.328 -0.858 . . . . 0.0 109.542 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -154.2 19.89 0.64 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.2 mt -137.43 103.55 5.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.168 -1.195 . . . . 0.0 109.445 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -147.57 -38.21 0.2 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.301 -0.875 . . . . 0.0 109.5 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 28.5 t-80 -81.5 83.46 6.99 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.279 -0.888 . . . . 0.0 109.622 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' HIS . . . . . 0.508 ' C ' ' ND1' ' A' ' 128' ' ' HIS . 0.0 OUTLIER -81.13 -164.14 0.71 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.16 -0.963 . . . . 0.0 109.223 179.77 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.657 ' HB3' ' CE1' ' A' ' 131' ' ' HIS . 1.7 t-80 -128.53 -132.09 0.22 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.138 -0.976 . . . . 0.0 109.474 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' HIS . . . . . 0.429 ' C ' ' CG ' ' A' ' 131' ' ' HIS . 61.7 t60 -107.54 96.86 6.7 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.247 -0.908 . . . . 0.0 109.516 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' HIS . . . . . 0.657 ' CE1' ' HB3' ' A' ' 129' ' ' HIS . 27.0 m80 -153.84 162.22 41.41 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.208 -0.932 . . . . 0.0 109.484 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 117.937 -1.03 . . . . 0.0 109.409 179.93 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -73.69 -56.15 5.37 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.262 -0.899 . . . . 0.0 109.48 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.472 ' N ' HD23 ' A' ' 13' ' ' LEU . 4.1 mt -51.14 -43.6 61.23 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.217 -0.927 . . . . 0.0 109.43 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.2 mt -58.38 -47.03 89.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.285 -0.884 . . . . 0.0 109.38 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.74 -59.43 5.03 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.287 -0.883 . . . . 0.0 109.355 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.517 ' O ' ' C ' ' A' ' 17' ' ' GLN . 67.6 mt -45.92 -75.53 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.276 -0.89 . . . . 0.0 109.548 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.525 ' O ' ' OG1' ' A' ' 21' ' ' THR . 1.3 tp60 -35.93 -35.41 0.07 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.31 -0.869 . . . . 0.0 109.542 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 16' ' ' ILE . 1.0 OUTLIER -57.18 -58.68 7.16 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.172 -0.955 . . . . 0.0 109.563 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 20' ' ' GLU . 9.9 tt0 -65.32 -62.84 1.3 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.27 -0.894 . . . . 0.0 109.509 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.483 ' O ' ' C ' ' A' ' 21' ' ' THR . 12.1 mt-10 -40.05 -67.39 0.23 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.243 -0.911 . . . . 0.0 109.638 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.525 ' OG1' ' O ' ' A' ' 17' ' ' GLN . 10.0 m -38.31 -61.13 0.71 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.186 -0.946 . . . . 0.0 109.536 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' THR . 10.3 mmm180 -44.2 -52.89 7.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.249 -0.907 . . . . 0.0 109.42 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -49.73 -51.49 38.47 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.232 -0.918 . . . . 0.0 109.46 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.461 HD12 ' HZ2' ' A' ' 118' ' ' TRP . 3.6 mt -57.81 -57.25 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.282 -0.886 . . . . 0.0 109.446 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.43 ' N ' HD13 ' A' ' 25' ' ' ILE . 8.1 mm -46.94 -40.22 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.265 -0.897 . . . . 0.0 109.37 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -57.62 -52.42 65.51 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.286 -0.883 . . . . 0.0 109.381 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.92 -55.07 37.37 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.237 -0.914 . . . . 0.0 109.352 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.48 -48.18 38.06 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.236 -0.915 . . . . 0.0 109.25 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.65 ' O ' ' N ' ' A' ' 32' ' ' GLY . 5.4 mt -62.39 -66.67 0.51 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.319 -0.863 . . . . 0.0 109.286 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.538 ' C ' ' O ' ' A' ' 29' ' ' LEU . 3.6 tt0 -36.19 -36.96 0.1 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.248 -0.908 . . . . 0.0 109.297 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' LEU . 10.0 t70 -58.42 -31.32 67.62 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.234 -0.916 . . . . 0.0 109.266 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.65 ' N ' ' O ' ' A' ' 29' ' ' LEU . . . 121.75 2.43 10.46 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.3 m -51.18 169.99 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.235 -1.156 . . . . 0.0 109.518 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -132.68 147.15 64.4 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.146 -0.971 . . . . 0.0 109.531 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -70.92 -15.88 32.71 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.714 2.276 . . . . 0.0 112.223 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.64 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -94.82 -7.01 41.56 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.234 -0.916 . . . . 0.0 109.362 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.563 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -69.9 -9.01 53.41 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.313 -0.867 . . . . 0.0 109.53 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.563 ' O ' ' O ' ' A' ' 37' ' ' ALA . 5.0 mt 56.75 125.33 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.256 -0.902 . . . . 0.0 109.266 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -117.79 147.92 42.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.244 -0.91 . . . . 0.0 109.827 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -98.95 109.32 22.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.338 -0.851 . . . . 0.0 109.128 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.462 HD13 ' N ' ' A' ' 41' ' ' ILE . 4.1 mm -76.45 145.81 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.213 -0.929 . . . . 0.0 109.679 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -126.28 139.23 53.48 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.339 -0.851 . . . . 0.0 109.45 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -135.24 132.66 38.12 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.261 -0.899 . . . . 0.0 109.411 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -101.35 131.3 47.48 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.155 -0.966 . . . . 0.0 109.57 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 mp -137.41 132.73 33.89 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.229 -0.919 . . . . 0.0 109.183 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.698 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -127.36 160.07 32.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.142 -0.974 . . . . 0.0 109.891 -179.776 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.503 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -139.83 177.22 8.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.408 -0.807 . . . . 0.0 109.589 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -113.61 -14.43 12.64 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.246 -0.909 . . . . 0.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.74 119.64 40.01 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.224 -0.922 . . . . 0.0 109.325 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -52.57 -41.77 63.88 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.209 -0.932 . . . . 0.0 109.446 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.452 ' OD1' ' C ' ' A' ' 51' ' ' ASP . 27.8 t0 -71.12 -60.78 2.05 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.276 -0.89 . . . . 0.0 109.494 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.95 -32.76 2.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.179 -0.95 . . . . 0.0 109.094 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.503 HD12 ' HB3' ' A' ' 47' ' ' ALA . 6.1 tt -63.98 -67.33 0.44 Allowed 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.469 -0.769 . . . . 0.0 109.382 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -51.37 -23.04 3.35 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.238 -0.914 . . . . 0.0 109.26 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.0 -60.06 2.44 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.301 -0.874 . . . . 0.0 109.341 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.08 -32.91 74.64 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.265 -0.897 . . . . 0.0 109.463 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.45 -33.92 76.12 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.316 -0.865 . . . . 0.0 109.459 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -68.66 -52.86 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.215 -0.928 . . . . 0.0 109.271 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -52.62 -56.08 17.92 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.161 -0.962 . . . . 0.0 109.322 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.03 -59.13 3.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.232 -0.917 . . . . 0.0 109.474 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.65 -26.3 55.82 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.269 -0.894 . . . . 0.0 109.626 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -67.46 -40.11 85.35 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.221 -0.924 . . . . 0.0 109.386 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 9.3 mtm -66.27 -56.18 12.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.227 -0.921 . . . . 0.0 109.405 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 158.32 49.36 0.01 OUTLIER Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.497 ' CZ ' ' SD ' ' A' ' 88' ' ' MET . 40.0 m-85 -123.96 132.36 53.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.201 -1.176 . . . . 0.0 109.523 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -72.39 78.22 1.02 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.22 -0.925 . . . . 0.0 109.481 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.7 p -57.61 140.07 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.262 -0.899 . . . . 0.0 109.485 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.629 ' N ' ' O ' ' A' ' 85' ' ' ASP . 1.8 tp -115.27 141.19 48.36 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.264 -0.898 . . . . 0.0 109.552 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -52.63 150.69 4.88 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.245 -0.91 . . . . 0.0 109.472 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.408 ' HB1' ' N ' ' A' ' 83' ' ' CYS . . . -96.5 179.92 4.84 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.31 -0.869 . . . . 0.0 109.599 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.538 ' O ' ' C ' ' A' ' 72' ' ' GLU . 8.2 tt0 -158.43 146.66 18.51 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.338 -0.851 . . . . 0.0 109.268 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.614 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -35.41 117.95 0.44 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.256 -0.903 . . . . 0.0 109.421 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.258 -0.901 . . . . 0.0 109.77 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.81 163.97 21.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.246 -0.908 . . . . 0.0 109.65 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 82' ' ' LEU . 7.5 mp -95.15 132.0 40.56 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.352 -0.843 . . . . 0.0 109.532 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.408 ' N ' ' HB1' ' A' ' 70' ' ' ALA . 37.0 t -134.06 108.32 8.27 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.245 -0.909 . . . . 0.0 110.084 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.63 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.7 OUTLIER -98.64 166.46 11.32 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.217 -0.927 . . . . 0.0 109.009 179.375 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.629 ' O ' ' N ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -125.57 153.89 43.01 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.153 -0.967 . . . . 0.0 109.924 -179.495 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -127.58 141.2 51.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.403 -0.811 . . . . 0.0 109.299 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.38 160.34 28.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.247 -0.908 . . . . 0.0 109.494 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.505 ' SD ' ' NE2' ' A' ' 100' ' ' GLN . 8.1 ttt -158.48 119.57 3.41 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.318 -0.864 . . . . 0.0 109.517 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -74.02 129.02 37.04 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.259 -0.901 . . . . 0.0 109.348 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.6 p -166.59 156.48 11.62 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.254 -0.904 . . . . 0.0 109.709 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.76 174.78 0.74 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.304 -0.872 . . . . 0.0 109.409 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.405 HD21 HG23 ' A' ' 25' ' ' ILE . 3.0 tp -92.88 100.29 12.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.291 -0.88 . . . . 0.0 109.298 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -145.49 137.47 25.48 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.184 -0.948 . . . . 0.0 109.528 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.454 ' O ' ' CG ' ' A' ' 98' ' ' ASP . . . -68.44 -39.0 81.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.213 -0.929 . . . . 0.0 109.294 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -61.36 -47.69 84.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.232 -0.917 . . . . 0.0 109.232 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 99' ' ' GLU . 5.0 tt -64.03 -61.69 2.11 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.289 -0.882 . . . . 0.0 109.218 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.438 ' O ' HG23 ' A' ' 101' ' ' VAL . 38.6 mt -46.03 -40.98 3.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.265 -0.897 . . . . 0.0 109.197 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.454 ' CG ' ' O ' ' A' ' 94' ' ' ALA . 45.0 m-20 -62.36 -34.74 77.27 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.294 -0.879 . . . . 0.0 109.234 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 96' ' ' LEU . 3.6 mm-40 -66.9 -52.98 36.68 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.293 -0.88 . . . . 0.0 109.519 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.505 ' NE2' ' SD ' ' A' ' 88' ' ' MET . 91.2 mt-30 -50.32 -36.3 31.32 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.156 -0.965 . . . . 0.0 109.292 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.54 HG13 ' CZ ' ' A' ' 115' ' ' TYR . 55.6 t -72.7 -33.2 43.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.29 -0.881 . . . . 0.0 109.472 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.457 ' O ' ' OD1' ' A' ' 106' ' ' ASN . 0.7 OUTLIER -68.93 -41.91 77.48 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.246 -0.909 . . . . 0.0 109.521 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.8 mttp -70.91 -47.84 56.92 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.149 -0.969 . . . . 0.0 109.627 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.438 ' HA ' HD23 ' A' ' 104' ' ' LEU . 48.4 mt -63.81 -34.34 77.69 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.211 -0.931 . . . . 0.0 109.568 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.415 HG22 ' CD2' ' A' ' 115' ' ' TYR . 4.9 t -70.58 -56.78 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.166 -0.959 . . . . 0.0 109.544 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.457 ' OD1' ' O ' ' A' ' 102' ' ' GLU . 2.0 m120 -55.04 -42.84 73.16 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.19 -0.943 . . . . 0.0 109.42 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.1 tt -66.76 -40.95 88.43 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.255 -0.903 . . . . 0.0 109.398 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.64 -54.96 41.19 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.251 -0.906 . . . . 0.0 109.578 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -65.78 -21.48 66.5 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.294 -0.879 . . . . 0.0 109.457 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -72.86 -27.43 61.91 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.27 -0.894 . . . . 0.0 109.627 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.508 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 8.3 m-85 -98.46 -76.97 0.52 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.217 -0.927 . . . . 0.0 109.651 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.508 ' OD1' ' O ' ' A' ' 111' ' ' PHE . 0.4 OUTLIER 166.08 33.43 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.105 -0.997 . . . . 0.0 109.634 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.5 pt -116.88 178.05 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.219 -0.926 . . . . 0.0 109.538 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.49 HD12 ' N ' ' A' ' 115' ' ' TYR . 0.2 OUTLIER -124.47 110.05 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.224 -0.922 . . . . 0.0 109.478 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.54 ' CZ ' HG13 ' A' ' 101' ' ' VAL . 1.1 t80 -89.98 117.12 28.54 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.246 -0.909 . . . . 0.0 109.257 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -158.86 73.62 0.62 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.178 -0.951 . . . . 0.0 109.661 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 171.58 95.49 0.1 OUTLIER Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.641 -1.383 . . . . 0.0 109.641 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.461 ' HZ2' HD12 ' A' ' 24' ' ' ILE . 1.2 p-90 -124.37 133.68 53.36 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.173 -1.192 . . . . 0.0 109.294 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -144.65 157.78 27.35 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.2 t -128.64 128.13 43.56 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.199 -1.177 . . . . 0.0 109.543 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.596 0 O-C-N 121.242 -0.911 . . . . 0.0 109.472 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -70.0 -40.42 75.28 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.294 -0.879 . . . . 0.0 109.532 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.9 mt -67.18 -43.22 82.73 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.253 -0.905 . . . . 0.0 109.71 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 15' ' ' GLU . 8.0 mt -62.76 -59.07 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.268 -0.895 . . . . 0.0 109.721 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 14' ' ' ILE . 4.1 tt0 -42.96 -57.96 2.62 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.253 -0.904 . . . . 0.0 109.611 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.8 mt -48.49 -47.03 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.191 -0.943 . . . . 0.0 109.593 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.512 ' O ' ' C ' ' A' ' 18' ' ' LYS . 3.3 mm100 -53.91 -65.74 0.52 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.208 -0.933 . . . . 0.0 109.532 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.512 ' C ' ' O ' ' A' ' 17' ' ' GLN . 31.3 mttt -35.16 -42.95 0.2 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.292 -0.88 . . . . 0.0 109.662 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.526 ' O ' ' C ' ' A' ' 20' ' ' GLU . 1.9 tt0 -72.54 -66.62 0.64 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.225 -0.922 . . . . 0.0 109.727 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.526 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -35.09 -46.8 0.35 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.254 -0.904 . . . . 0.0 109.608 -179.778 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.465 ' O ' ' C ' ' A' ' 22' ' ' ARG . 48.9 m -60.53 -58.92 6.44 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.236 -0.915 . . . . 0.0 109.235 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.736 ' CG ' HH11 ' A' ' 22' ' ' ARG . 0.0 OUTLIER -39.38 -52.22 2.06 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.253 -0.904 . . . . 0.0 109.506 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -57.23 -40.75 78.18 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.323 -0.861 . . . . 0.0 109.704 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 26' ' ' GLN . 68.1 mt -70.21 -66.69 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.242 -0.911 . . . . 0.0 109.669 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 24' ' ' ILE . 1.2 mp -45.16 -22.95 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.112 -0.992 . . . . 0.0 109.264 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' ILE . 5.0 mm-40 -71.75 -56.51 5.64 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.25 -0.906 . . . . 0.0 109.479 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.0 -41.1 77.83 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.245 -0.909 . . . . 0.0 109.615 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.5 mt -60.24 -49.34 77.99 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.222 -0.924 . . . . 0.0 109.447 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 29' ' ' LEU . 2.2 mm? -60.64 -37.99 83.35 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.226 -0.921 . . . . 0.0 109.39 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -60.52 -31.84 70.9 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.241 -0.912 . . . . 0.0 109.269 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -76.6 -37.64 56.12 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.259 -0.9 . . . . 0.0 109.482 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.56 ' O ' ' O ' ' A' ' 33' ' ' SER . . . 126.41 17.5 2.39 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.56 ' O ' ' O ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -34.51 156.73 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.22 -1.165 . . . . 0.0 109.596 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -125.37 86.69 56.74 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.183 -0.948 . . . . 0.0 109.593 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -52.67 -27.1 32.07 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.85 2.367 . . . . 0.0 112.286 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -65.37 -22.46 66.8 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.227 -0.92 . . . . 0.0 109.511 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.556 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -88.07 18.2 4.45 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.223 -0.923 . . . . 0.0 109.616 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.556 ' O ' ' O ' ' A' ' 37' ' ' ALA . 0.6 OUTLIER 56.25 150.85 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.135 -0.978 . . . . 0.0 109.473 179.846 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -128.37 152.69 47.88 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.331 -0.856 . . . . 0.0 109.326 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.437 ' O ' HD13 ' A' ' 41' ' ' ILE . 1.2 pm0 -107.59 146.72 31.55 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.225 -0.922 . . . . 0.0 109.603 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.437 HD13 ' O ' ' A' ' 40' ' ' GLU . 2.0 mm -122.43 145.38 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.309 -0.869 . . . . 0.0 109.203 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -120.3 111.3 17.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.169 -0.957 . . . . 0.0 109.606 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -100.21 142.33 31.84 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.204 -0.935 . . . . 0.0 109.461 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.431 ' CD2' ' N ' ' A' ' 44' ' ' HIS . 1.0 OUTLIER -121.45 124.59 44.83 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.258 -0.901 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 2.7 mp -131.01 148.12 52.71 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.224 -0.922 . . . . 0.0 109.484 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -132.9 155.83 48.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.24 -0.913 . . . . 0.0 109.745 -179.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.04 179.3 5.96 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.329 -0.857 . . . . 0.0 109.483 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -116.9 -21.09 9.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.263 -0.898 . . . . 0.0 109.276 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.643 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.4 t0 -127.01 109.89 12.38 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.352 -0.842 . . . . 0.0 109.228 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' A' ' 49' ' ' ASP . 17.9 t80 -41.15 -17.65 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.24 -0.913 . . . . 0.0 109.748 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.643 ' N ' ' O ' ' A' ' 49' ' ' ASP . 5.9 t70 -65.81 -77.5 0.06 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.169 -0.957 . . . . 0.0 109.636 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.531 ' HE2' ' H ' ' A' ' 49' ' ' ASP . 32.3 pttt -53.18 -32.61 48.79 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.195 -0.94 . . . . 0.0 109.393 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.68 ' C ' HD23 ' A' ' 53' ' ' LEU . 6.1 tt -51.48 -55.89 16.36 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.391 -0.818 . . . . 0.0 109.667 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.633 ' O ' HG23 ' A' ' 58' ' ' VAL . 18.2 tt0 -63.88 -53.03 56.87 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.211 -0.931 . . . . 0.0 109.547 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.42 ' HB3' ' CE1' ' A' ' 111' ' ' PHE . 7.6 mtpp -44.48 -47.85 10.03 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.206 -0.934 . . . . 0.0 109.705 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.515 ' O ' ' C ' ' A' ' 57' ' ' ALA . . . -72.0 -61.07 1.92 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.153 -0.967 . . . . 0.0 109.607 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 56' ' ' ALA . . . -35.59 -52.35 0.67 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.36 -0.837 . . . . 0.0 109.571 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 54' ' ' GLU . 14.6 t -59.01 -54.15 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.268 -0.895 . . . . 0.0 109.455 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -49.09 -41.29 35.05 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.239 -0.913 . . . . 0.0 109.351 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.3 -35.64 76.2 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.244 -0.91 . . . . 0.0 109.234 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -61.79 -52.29 64.81 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.287 -0.883 . . . . 0.0 109.298 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -55.59 -39.18 70.38 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.24 -0.912 . . . . 0.0 109.236 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 31.2 ttm -51.96 -57.63 8.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.265 -0.897 . . . . 0.0 109.385 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.656 ' O ' ' SD ' ' A' ' 88' ' ' MET . . . 149.6 31.9 0.05 OUTLIER Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.691 ' CD1' ' SD ' ' A' ' 88' ' ' MET . 10.2 m-85 -117.38 137.78 52.24 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.214 -1.168 . . . . 0.0 109.466 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.447 ' OE1' ' O ' ' A' ' 67' ' ' VAL . 1.3 tm-20 -82.08 84.01 7.14 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.178 -0.951 . . . . 0.0 109.362 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.55 HG22 ' N ' ' A' ' 68' ' ' LEU . 14.7 p -54.67 164.81 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.238 -0.914 . . . . 0.0 109.528 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.605 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -144.19 132.59 22.03 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.299 -0.875 . . . . 0.0 109.363 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.569 ' O ' ' O ' ' A' ' 68' ' ' LEU . 4.6 pt-20 -39.02 165.33 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.297 -0.877 . . . . 0.0 109.767 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.509 ' HB1' ' N ' ' A' ' 83' ' ' CYS . . . -116.71 158.94 23.01 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.362 -0.836 . . . . 0.0 109.426 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.472 ' N ' ' CD ' ' A' ' 71' ' ' GLU . 1.9 pm0 -118.22 147.43 43.41 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.284 -0.885 . . . . 0.0 109.455 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -64.38 114.69 4.46 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.2 -0.937 . . . . 0.0 109.629 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.8 t . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.23 -0.919 . . . . 0.0 109.377 179.834 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.2 mttt . . . . . 0 N--CA 1.49 1.527 0 CA-C-O 121.326 0.584 . . . . 0.0 109.745 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.94 153.96 45.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.258 -0.901 . . . . 0.0 109.457 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.65 136.39 33.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.251 -0.906 . . . . 0.0 109.669 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.509 ' N ' ' HB1' ' A' ' 70' ' ' ALA . 17.7 p -128.21 107.88 10.15 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.327 -0.858 . . . . 0.0 109.625 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 2.2 p90 -94.0 165.52 12.61 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.221 -0.924 . . . . 0.0 109.426 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.605 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -121.74 156.96 32.01 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.218 -0.926 . . . . 0.0 109.795 -179.726 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -142.14 137.47 30.93 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.373 -0.83 . . . . 0.0 109.276 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -109.82 157.77 18.84 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.145 -0.972 . . . . 0.0 109.639 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.691 ' SD ' ' CD1' ' A' ' 65' ' ' PHE . 8.5 tpt -155.68 115.72 3.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.229 -0.919 . . . . 0.0 109.481 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -77.99 137.18 38.16 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.231 -0.918 . . . . 0.0 109.452 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.23 156.18 6.87 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.248 -0.908 . . . . 0.0 109.541 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.52 170.73 2.3 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.271 -0.893 . . . . 0.0 109.571 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 59.9 tp -92.33 92.18 8.03 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.298 -0.876 . . . . 0.0 109.538 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -153.26 126.28 8.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.329 -0.857 . . . . 0.0 109.374 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.53 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -49.21 -62.04 1.75 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.259 -0.901 . . . . 0.0 109.644 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.53 ' C ' ' O ' ' A' ' 94' ' ' ALA . 4.9 mtpt -34.95 -47.82 0.37 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.247 -0.908 . . . . 0.0 109.662 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 98' ' ' ASP . 8.4 mp -63.35 -69.89 0.24 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.193 -0.942 . . . . 0.0 109.586 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 96' ' ' LEU . 31.4 mt -41.75 -22.77 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.239 -0.913 . . . . 0.0 109.242 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -75.29 -45.69 38.21 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.419 -0.8 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 96' ' ' LEU . 1.0 OUTLIER -65.21 -45.2 85.72 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.335 -0.853 . . . . 0.0 109.437 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -60.14 -61.36 2.66 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.29 -0.881 . . . . 0.0 109.526 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.6 HG13 ' CZ ' ' A' ' 115' ' ' TYR . 89.0 t -55.12 -47.38 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.211 -0.931 . . . . 0.0 109.549 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.416 ' C ' ' OE1' ' A' ' 102' ' ' GLU . 0.2 OUTLIER -50.04 -35.07 23.56 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.144 -0.973 . . . . 0.0 109.132 179.798 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -56.3 7.82 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.288 -0.883 . . . . 0.0 109.067 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 97.7 mt -55.21 -22.74 18.92 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.371 -0.83 . . . . 0.0 109.414 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.5 t -73.97 -52.6 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.271 -0.893 . . . . 0.0 109.528 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -63.0 -39.98 96.39 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.234 -0.916 . . . . 0.0 109.594 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 108' ' ' ALA . 14.9 tp -65.95 -55.78 15.08 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.245 -0.909 . . . . 0.0 109.52 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.429 ' HB1' HG13 ' A' ' 113' ' ' ILE . . . -44.11 -54.97 5.09 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.233 -0.917 . . . . 0.0 109.716 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -67.48 -28.57 67.96 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.274 -0.891 . . . . 0.0 109.756 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -57.96 -32.71 68.11 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.202 -0.936 . . . . 0.0 109.473 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 15.2 m-85 -101.1 -74.89 0.6 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -0.907 . . . . 0.0 109.477 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.6 OUTLIER 166.9 32.72 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.195 -0.941 . . . . 0.0 109.683 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.429 HG13 ' HB1' ' A' ' 108' ' ' ALA . 32.2 pt -116.99 166.22 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.187 -0.945 . . . . 0.0 109.397 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -112.75 136.77 47.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.22 -0.925 . . . . 0.0 109.793 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.6 ' CZ ' HG13 ' A' ' 101' ' ' VAL . 0.6 OUTLIER -103.42 108.59 19.9 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.294 -0.879 . . . . 0.0 108.797 179.352 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 116' ' ' ASP . 2.2 t0 -150.0 82.53 1.38 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.13 -0.982 . . . . 0.0 109.692 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 161.14 87.97 0.07 OUTLIER Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 2.4 p-90 -128.59 138.02 52.0 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.231 -1.158 . . . . 0.0 109.14 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -153.65 165.42 31.5 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.8 t -120.91 158.89 26.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.25 -1.147 . . . . 0.0 109.44 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.173 -0.954 . . . . 0.0 109.406 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.174 0.511 . . . . 0.0 109.739 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.606 ' CG ' ' N ' ' A' ' 13' ' ' LEU . 6.3 pt-20 -53.24 -47.12 69.3 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.158 -0.964 . . . . 0.0 109.544 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.606 ' N ' ' CG ' ' A' ' 12' ' ' GLU . 84.7 mt -58.12 -44.55 87.8 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.225 -0.922 . . . . 0.0 109.522 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.0 mt -63.55 -38.83 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.262 -0.898 . . . . 0.0 109.568 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 18' ' ' LYS . 7.2 tm-20 -64.42 -67.09 0.46 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.327 -0.858 . . . . 0.0 109.548 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.469 ' C ' ' O ' ' A' ' 15' ' ' GLU . 11.3 mt -41.53 -66.94 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.275 -0.891 . . . . 0.0 109.329 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 16' ' ' ILE . 1.3 mt-30 -44.6 -31.51 1.16 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.203 -0.936 . . . . 0.0 109.131 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 4.3 ttmm -57.88 -53.79 54.2 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.261 -0.899 . . . . 0.0 109.055 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.523 ' O ' ' C ' ' A' ' 20' ' ' GLU . 12.2 mm-40 -73.45 -61.47 1.82 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.246 -0.909 . . . . 0.0 109.307 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.523 ' C ' ' O ' ' A' ' 19' ' ' GLU . 2.8 tt0 -36.88 -55.38 0.91 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.327 -0.858 . . . . 0.0 109.374 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.7 m -53.15 -59.86 4.01 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.234 -0.916 . . . . 0.0 109.319 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -44.98 -40.6 6.57 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.127 -0.983 . . . . 0.0 109.446 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -55.8 -49.0 74.41 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.278 -0.889 . . . . 0.0 109.741 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 26' ' ' GLN . 78.6 mt -64.93 -68.26 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.173 -0.954 . . . . 0.0 109.735 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.512 ' C ' ' O ' ' A' ' 24' ' ' ILE . 5.8 mm -36.96 -31.5 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.61 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.523 ' N ' ' O ' ' A' ' 24' ' ' ILE . 8.2 mm-40 -72.69 -45.43 58.89 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.215 -0.928 . . . . 0.0 109.733 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . -70.87 -33.9 71.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.197 -0.939 . . . . 0.0 109.684 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -56.02 8.08 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.272 -0.893 . . . . 0.0 109.488 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.05 -55.57 26.18 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.269 -0.895 . . . . 0.0 109.258 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -46.59 -43.83 17.6 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.175 -0.953 . . . . 0.0 109.077 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.25 -26.96 13.15 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.217 -0.927 . . . . 0.0 109.312 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 33' ' ' SER . . . 106.64 25.54 6.22 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.433 ' C ' ' OD1' ' A' ' 34' ' ' ASP . 2.0 p -53.13 -175.05 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.233 -1.157 . . . . 0.0 109.59 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.433 ' OD1' ' C ' ' A' ' 33' ' ' SER . 0.8 OUTLIER -136.31 91.61 16.44 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.29 -0.881 . . . . 0.0 109.391 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.41 ' C ' ' H ' ' A' ' 37' ' ' ALA . 19.5 Cg_exo -61.69 -30.7 85.66 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.776 2.318 . . . . 0.0 112.372 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.36 0.46 1.46 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.247 -0.908 . . . . 0.0 109.667 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.453 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -110.56 22.94 14.85 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.14 -0.975 . . . . 0.0 109.428 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.453 ' O ' ' O ' ' A' ' 37' ' ' ALA . 4.1 mm? 55.0 167.29 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.183 -0.948 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.573 ' CD2' HD13 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -140.56 151.64 44.88 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.272 -0.892 . . . . 0.0 109.638 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -104.91 124.04 48.79 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.291 -0.881 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.0 mm -98.0 139.89 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.197 -0.939 . . . . 0.0 109.325 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -116.83 113.61 22.75 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.348 -0.845 . . . . 0.0 109.444 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.411 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 98.4 m-70 -104.26 140.57 37.67 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.224 -0.922 . . . . 0.0 109.742 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.512 ' NE2' ' OD2' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -118.84 112.37 19.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.343 -0.848 . . . . 0.0 109.253 179.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 3.6 mp -123.9 146.39 48.46 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.236 -0.915 . . . . 0.0 109.598 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.646 ' CD1' ' N ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -132.26 167.35 19.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.267 -0.896 . . . . 0.0 109.777 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.66 ' HB2' HG22 ' A' ' 113' ' ' ILE . . . -154.11 172.32 17.72 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.35 -0.844 . . . . 0.0 109.442 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -109.55 -27.43 9.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.212 -0.93 . . . . 0.0 109.547 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.1 m-20 -106.48 100.95 10.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.192 -0.943 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -46.5 -15.76 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.205 -0.934 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.566 ' N ' ' CD1' ' A' ' 50' ' ' PHE . 1.7 m-20 -68.0 -63.15 1.12 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.291 -0.88 . . . . 0.0 109.021 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.443 ' HE2' ' H ' ' A' ' 49' ' ' ASP . 8.0 pttt -65.23 -29.29 70.07 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.31 -0.868 . . . . 0.0 109.144 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.527 HD21 ' CD1' ' A' ' 84' ' ' PHE . 5.3 tt -60.78 -51.08 70.87 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.279 -0.888 . . . . 0.0 109.144 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -61.43 -49.68 75.86 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.333 -0.854 . . . . 0.0 109.414 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -57.63 8.54 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.361 -0.837 . . . . 0.0 109.615 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.26 -49.78 71.17 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.243 -0.91 . . . . 0.0 109.482 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.485 ' HB1' HG21 ' A' ' 67' ' ' VAL . . . -52.06 -60.11 3.57 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.317 -0.864 . . . . 0.0 109.559 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 57' ' ' ALA . 80.1 t -42.89 -59.65 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.214 -0.929 . . . . 0.0 109.562 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.617 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 2.4 mp0 -49.58 -38.96 33.48 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.126 -0.984 . . . . 0.0 109.441 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.36 -33.54 74.46 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.284 -0.885 . . . . 0.0 109.731 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -69.92 -51.78 30.09 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.192 -0.943 . . . . 0.0 109.463 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.0 tttp -66.0 -41.91 90.45 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.31 -0.868 . . . . 0.0 109.546 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.0 ttp -51.61 -65.78 0.5 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.181 -0.949 . . . . 0.0 109.378 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 165.45 27.29 0.02 OUTLIER Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -115.67 135.33 54.16 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.172 -1.193 . . . . 0.0 109.462 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' VAL . 9.4 mt-10 -84.34 75.86 10.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.294 -0.879 . . . . 0.0 109.481 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.485 HG21 ' HB1' ' A' ' 57' ' ' ALA . 2.7 p -43.84 149.05 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.25 -0.906 . . . . 0.0 109.658 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 85' ' ' ASP . 3.1 tp -126.1 137.09 53.58 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.372 -0.83 . . . . 0.0 109.217 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 68' ' ' LEU . 19.6 pt-20 -40.89 158.47 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.18 -0.95 . . . . 0.0 109.618 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -110.85 173.31 6.39 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.271 -0.893 . . . . 0.0 110.038 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.468 ' HG3' ' SG ' ' A' ' 83' ' ' CYS . 1.9 pt-20 -136.43 154.44 50.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.416 -0.803 . . . . 0.0 109.061 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -71.82 127.49 32.74 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.122 -0.986 . . . . 0.0 109.586 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.495 HG23 ' HB2' ' A' ' 81' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.255 -0.903 . . . . 0.0 109.653 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.279 0.561 . . . . 0.0 109.683 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.495 ' HB2' HG23 ' A' ' 73' ' ' THR . 8.1 mt -114.66 163.43 15.45 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.279 -0.888 . . . . 0.0 109.356 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 82' ' ' LEU . 5.1 mp -115.5 137.17 52.33 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.259 -0.901 . . . . 0.0 109.095 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.468 ' SG ' ' HG3' ' A' ' 71' ' ' GLU . 4.7 p -132.5 105.15 7.07 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.134 -0.979 . . . . 0.0 110.156 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.527 ' CD1' HD21 ' A' ' 53' ' ' LEU . 15.8 p90 -95.87 158.72 15.32 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.234 -0.916 . . . . 0.0 108.907 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.512 ' OD2' ' NE2' ' A' ' 44' ' ' HIS . 0.4 OUTLIER -111.94 171.64 7.38 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.132 -0.98 . . . . 0.0 109.661 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.411 ' HB3' ' HB2' ' A' ' 43' ' ' HIS . . . -150.19 119.86 7.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.216 -0.928 . . . . 0.0 109.465 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.99 147.94 25.6 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.247 -0.908 . . . . 0.0 109.659 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 11.9 ttm -147.52 153.71 39.83 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.34 -0.85 . . . . 0.0 109.189 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -107.0 132.04 53.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.274 -0.891 . . . . 0.0 109.193 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 80.4 p -166.76 148.65 6.29 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.216 -0.927 . . . . 0.0 109.555 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.99 153.71 20.73 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.25 -0.906 . . . . 0.0 109.43 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.573 HD13 ' CD2' ' A' ' 39' ' ' TYR . 14.6 tp -78.15 89.12 4.24 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.223 -0.923 . . . . 0.0 109.383 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.12 118.65 10.36 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.201 -0.937 . . . . 0.0 109.495 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -48.5 -50.22 32.6 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.286 -0.884 . . . . 0.0 109.546 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -48.97 -44.55 40.98 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.24 -0.913 . . . . 0.0 109.538 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.13 -45.01 74.77 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.268 -0.895 . . . . 0.0 109.61 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.606 ' O ' HG23 ' A' ' 101' ' ' VAL . 29.4 mt -57.72 -29.6 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.183 -0.948 . . . . 0.0 109.604 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -72.76 -47.27 48.23 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.254 -0.904 . . . . 0.0 109.452 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.4 -45.4 93.32 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.246 -0.909 . . . . 0.0 109.516 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.09 -58.78 6.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.235 -0.915 . . . . 0.0 109.326 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 97' ' ' ILE . 96.4 t -51.23 -39.28 20.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.224 -0.922 . . . . 0.0 109.118 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -54.1 -44.28 71.11 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.252 -0.905 . . . . 0.0 109.334 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -64.72 -43.94 91.79 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.209 -0.932 . . . . 0.0 109.306 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 104' ' ' LEU . 57.3 mt -62.75 -28.36 69.92 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.137 -0.977 . . . . 0.0 109.329 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 6.8 t -74.6 -49.05 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.235 -0.916 . . . . 0.0 109.568 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -61.22 -52.41 64.89 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.266 -0.896 . . . . 0.0 109.671 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.487 ' O ' ' C ' ' A' ' 108' ' ' ALA . 1.1 tt -60.6 -57.99 10.38 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.17 -0.956 . . . . 0.0 109.661 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.487 ' C ' ' O ' ' A' ' 107' ' ' LEU . . . -38.74 -54.8 1.56 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.234 -0.916 . . . . 0.0 109.441 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -65.93 -33.02 74.88 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.339 -0.851 . . . . 0.0 109.537 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 107' ' ' LEU . 3.3 tptm -50.38 -36.73 33.88 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.294 -0.879 . . . . 0.0 109.459 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.473 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 65.8 m-85 -98.02 -77.26 0.51 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.233 -0.917 . . . . 0.0 109.694 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 1.1 m-20 167.22 31.21 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.231 -0.918 . . . . 0.0 109.587 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.66 HG22 ' HB2' ' A' ' 47' ' ' ALA . 22.5 pt -111.08 137.12 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.179 -0.951 . . . . 0.0 109.467 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.753 HD12 ' N ' ' A' ' 115' ' ' TYR . 0.1 OUTLIER -84.42 125.97 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.242 -0.911 . . . . 0.0 109.316 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.753 ' N ' HD12 ' A' ' 114' ' ' ILE . 8.6 t80 -95.03 111.73 23.51 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.194 -0.941 . . . . 0.0 109.635 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' A' ' 116' ' ' ASP . 4.2 t70 -156.46 84.15 0.98 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.218 -0.926 . . . . 0.0 109.443 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 159.65 92.29 0.09 OUTLIER Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.955 -1.258 . . . . 0.0 109.955 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.685 ' O ' ' CG ' ' A' ' 118' ' ' TRP . 3.1 p-90 -134.4 112.93 11.37 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.194 -1.18 . . . . 0.0 109.178 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -128.95 161.19 22.52 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.16 164.62 13.62 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.258 -1.142 . . . . 0.0 109.509 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 O-C-N 121.347 -0.846 . . . . 0.0 109.243 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.193 0.521 . . . . 0.0 109.688 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.488 ' HG2' ' N ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -46.41 -44.44 17.18 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.167 -0.958 . . . . 0.0 109.349 -179.812 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.488 ' N ' ' HG2' ' A' ' 12' ' ' GLU . 62.4 mt -56.27 -41.22 75.49 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.257 -0.902 . . . . 0.0 109.303 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.1 mt -67.1 -42.89 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.3 -0.875 . . . . 0.0 109.306 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.57 -52.35 65.75 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.32 -0.862 . . . . 0.0 109.268 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.7 mt -56.92 -60.72 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.231 -0.918 . . . . 0.0 109.401 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.432 ' OE1' ' CD1' ' A' ' 118' ' ' TRP . 30.4 mm-40 -48.45 -36.12 14.29 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.283 -0.886 . . . . 0.0 109.444 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.531 ' NZ ' ' OD2' ' A' ' 98' ' ' ASP . 5.8 ttmm -57.84 -51.69 68.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.283 -0.885 . . . . 0.0 109.443 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.525 ' O ' ' C ' ' A' ' 20' ' ' GLU . 2.4 tp10 -63.78 -60.6 3.09 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.344 -0.848 . . . . 0.0 109.623 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.525 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -36.36 -70.89 0.08 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.248 -0.908 . . . . 0.0 109.694 -179.821 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' GLU . 42.4 m -42.74 -51.78 5.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.209 -0.932 . . . . 0.0 109.601 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.722 ' CG ' HH11 ' A' ' 22' ' ' ARG . 0.0 OUTLIER -47.19 -56.4 6.74 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.065 -1.022 . . . . 0.0 109.835 -179.674 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.514 ' OD1' ' C ' ' A' ' 23' ' ' ASP . 0.3 OUTLIER -53.76 -31.36 48.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.155 -0.966 . . . . 0.0 109.345 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' ILE . 43.1 mt -75.89 -71.22 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.32 -0.862 . . . . 0.0 109.256 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 24' ' ' ILE . 12.2 mm -42.12 -29.47 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.256 -0.902 . . . . 0.0 109.262 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.637 ' O ' ' NE2' ' A' ' 26' ' ' GLN . 12.3 tp60 -73.61 -48.56 31.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.343 -0.848 . . . . 0.0 109.322 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.41 -29.44 69.6 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.204 -0.935 . . . . 0.0 109.32 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.431 ' HA ' HD23 ' A' ' 28' ' ' LEU . 70.7 mt -71.72 -61.53 1.75 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.265 -0.897 . . . . 0.0 109.276 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.14 -29.89 24.06 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.265 -0.897 . . . . 0.0 109.185 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -78.8 -34.24 45.56 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.294 -0.879 . . . . 0.0 109.362 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.56 -29.61 68.2 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.287 -0.883 . . . . 0.0 109.423 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.518 ' O ' ' O ' ' A' ' 33' ' ' SER . . . 132.46 5.46 3.28 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.518 ' O ' ' O ' ' A' ' 32' ' ' GLY . 0.4 OUTLIER -40.83 164.71 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.271 -1.135 . . . . 0.0 109.348 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -142.6 95.88 6.34 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.134 -0.979 . . . . 0.0 109.735 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -54.26 -14.67 6.92 Favored 'Trans proline' 0 C--N 1.309 -1.535 0 C-N-CA 122.564 2.176 . . . . 0.0 111.995 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.89 20.74 2.49 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.217 -0.927 . . . . 0.0 109.432 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -130.7 6.91 4.76 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.227 -0.921 . . . . 0.0 109.407 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 mt 60.57 157.46 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.209 -0.932 . . . . 0.0 109.714 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -137.62 162.56 33.47 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.208 -0.933 . . . . 0.0 109.403 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -112.95 111.24 21.85 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.23 -0.918 . . . . 0.0 109.46 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.9 mm -83.04 153.64 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.301 -0.874 . . . . 0.0 109.502 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.441 ' C ' ' CD ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -135.25 105.61 6.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.341 -0.849 . . . . 0.0 109.287 179.838 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -100.25 146.42 26.92 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.232 -0.918 . . . . 0.0 109.615 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -118.36 132.0 56.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.303 -0.873 . . . . 0.0 109.219 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 2.2 mp -133.23 149.51 51.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.097 -1.002 . . . . 0.0 109.795 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.591 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -135.58 158.96 43.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.262 -0.898 . . . . 0.0 109.61 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.718 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -151.87 -179.98 7.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.288 -0.883 . . . . 0.0 109.663 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -115.76 -36.61 4.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.286 -0.884 . . . . 0.0 109.384 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.422 ' H ' ' HE3' ' A' ' 52' ' ' LYS . 7.3 t0 -108.0 115.12 29.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.279 -0.888 . . . . 0.0 109.492 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -52.75 -12.04 0.27 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.219 -0.926 . . . . 0.0 109.496 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.419 ' N ' ' C ' ' A' ' 49' ' ' ASP . 23.6 t70 -67.19 -71.66 0.19 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.202 -0.936 . . . . 0.0 109.489 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.422 ' HE3' ' H ' ' A' ' 49' ' ' ASP . 6.2 pttt -57.56 -36.99 72.37 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.253 -0.905 . . . . 0.0 109.507 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.718 HD12 ' HB3' ' A' ' 47' ' ' ALA . 6.5 tt -58.26 -52.68 64.58 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.242 -0.911 . . . . 0.0 109.812 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.43 ' O ' HG23 ' A' ' 58' ' ' VAL . 24.2 tt0 -55.16 -56.62 17.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.27 -0.894 . . . . 0.0 109.879 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -50.06 -59.65 3.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.171 -0.956 . . . . 0.0 109.885 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.79 -36.31 58.0 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.343 -0.848 . . . . 0.0 109.948 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.17 -43.53 98.62 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.223 -0.923 . . . . 0.0 109.777 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 54' ' ' GLU . 14.9 t -62.17 -49.21 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.14 -0.975 . . . . 0.0 109.917 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.24 -33.44 65.41 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.183 -0.948 . . . . 0.0 109.796 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.54 -64.6 0.82 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.185 -0.947 . . . . 0.0 109.59 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -51.89 -39.31 58.83 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.165 -0.96 . . . . 0.0 109.547 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -53.8 -54.35 39.57 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.236 -0.915 . . . . 0.0 109.458 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 10.2 mtt -51.31 -44.25 61.88 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.261 -0.899 . . . . 0.0 109.484 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.52 28.77 0.09 OUTLIER Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.728 ' CZ ' ' SD ' ' A' ' 88' ' ' MET . 39.9 m-85 -102.75 169.3 8.7 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.225 -1.162 . . . . 0.0 109.424 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -118.65 84.78 2.24 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.271 -0.893 . . . . 0.0 109.321 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.16 141.93 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.314 -0.866 . . . . 0.0 109.585 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.677 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -119.79 149.09 42.62 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.273 -0.892 . . . . 0.0 109.35 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -48.89 156.87 0.45 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.221 -0.925 . . . . 0.0 109.564 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 83' ' ' CYS . . . -108.74 179.45 4.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.311 -0.868 . . . . 0.0 109.665 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -147.06 132.88 19.0 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.353 -0.842 . . . . 0.0 109.439 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.85 119.56 3.62 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.293 -0.88 . . . . 0.0 109.524 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.24 -0.912 . . . . 0.0 109.549 179.853 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.5 mttt . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.495 ' H ' HD12 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -155.84 -165.64 2.0 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.211 -0.93 . . . . 0.0 109.55 -179.835 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.1 mp -112.85 144.88 41.65 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.182 -0.949 . . . . 0.0 109.546 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER -139.33 115.98 10.72 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.355 -0.84 . . . . 0.0 109.574 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.649 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.8 OUTLIER -100.16 169.3 9.25 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.34 -0.85 . . . . 0.0 109.246 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.677 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -123.85 142.13 51.4 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.261 -0.899 . . . . 0.0 109.806 -179.656 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -122.83 131.49 53.78 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.274 -0.891 . . . . 0.0 109.148 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.97 147.39 36.0 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.143 -0.973 . . . . 0.0 109.721 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.728 ' SD ' ' CZ ' ' A' ' 65' ' ' PHE . 10.6 ttt -144.8 154.42 42.67 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.335 -0.853 . . . . 0.0 109.128 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -106.84 122.15 45.82 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.017 -1.052 . . . . 0.0 109.451 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 55.7 p -138.99 167.99 20.82 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.287 -0.883 . . . . 0.0 109.478 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.538 ' O ' ' C ' ' A' ' 92' ' ' LEU . . . -88.86 43.31 1.13 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.153 -0.967 . . . . 0.0 109.378 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.538 ' C ' ' O ' ' A' ' 91' ' ' ALA . 6.5 tp 36.3 80.97 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.139 -0.975 . . . . 0.0 109.501 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.478 ' CB ' HD12 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -138.68 147.83 43.27 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.209 -0.932 . . . . 0.0 109.367 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.96 -51.65 10.78 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.23 -0.919 . . . . 0.0 109.451 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.5 tttm -54.11 -55.31 28.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.216 -0.927 . . . . 0.0 109.358 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.478 HD12 ' CB ' ' A' ' 93' ' ' ASP . 8.1 mt -59.45 -48.89 79.91 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.339 -0.85 . . . . 0.0 109.496 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 18.1 mt -55.43 -28.7 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.193 -0.942 . . . . 0.0 109.499 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.531 ' OD2' ' NZ ' ' A' ' 18' ' ' LYS . 7.8 t0 -68.1 -51.36 47.24 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.308 -0.87 . . . . 0.0 109.478 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.436 ' HG3' ' H ' ' A' ' 99' ' ' GLU . 17.3 mt-10 -55.28 -34.24 63.92 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.257 -0.902 . . . . 0.0 109.649 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 101' ' ' VAL . 16.9 mt-30 -69.94 -69.06 0.37 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.237 -0.914 . . . . 0.0 109.652 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.504 HG13 ' OH ' ' A' ' 115' ' ' TYR . 53.0 t -43.1 -44.79 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.306 -0.871 . . . . 0.0 109.632 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -55.92 -45.35 78.75 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.155 -0.965 . . . . 0.0 109.458 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -61.44 -54.01 49.13 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.201 -0.937 . . . . 0.0 109.392 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 66.7 mt -59.42 -18.08 36.1 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.26 -0.9 . . . . 0.0 109.231 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.611 HG12 ' N ' ' A' ' 106' ' ' ASN . 2.6 t -82.42 -70.03 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.316 -0.865 . . . . 0.0 109.382 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.611 ' N ' HG12 ' A' ' 105' ' ' VAL . 12.6 m-80 -48.75 -33.5 10.4 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.16 -0.962 . . . . 0.0 109.32 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 110' ' ' LYS . 1.2 tp -74.74 -61.78 1.76 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.298 -0.876 . . . . 0.0 109.352 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.478 ' C ' ' O ' ' A' ' 107' ' ' LEU . . . -40.16 -43.25 1.61 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.221 -0.925 . . . . 0.0 109.278 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.69 -27.62 45.12 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.207 -0.933 . . . . 0.0 109.438 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' A' ' 107' ' ' LEU . 5.7 tptp -56.7 -33.6 66.62 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.208 -0.932 . . . . 0.0 109.366 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.483 ' O ' ' CG ' ' A' ' 112' ' ' ASP . 12.0 m-85 -99.26 -76.91 0.53 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.272 -0.893 . . . . 0.0 109.344 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.483 ' CG ' ' O ' ' A' ' 111' ' ' PHE . 0.8 OUTLIER 168.67 31.67 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.189 -0.944 . . . . 0.0 109.869 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.445 HG22 ' HB2' ' A' ' 47' ' ' ALA . 18.4 pt -113.96 146.14 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.199 -0.938 . . . . 0.0 109.078 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.495 HD12 ' N ' ' A' ' 115' ' ' TYR . 0.4 OUTLIER -97.15 114.22 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.121 -0.987 . . . . 0.0 109.988 -179.409 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.504 ' OH ' HG13 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -93.72 106.64 18.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.321 -0.862 . . . . 0.0 108.838 179.566 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -146.73 85.02 1.62 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.22 -0.925 . . . . 0.0 109.583 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 157.22 92.66 0.09 OUTLIER Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.432 ' CD1' ' OE1' ' A' ' 17' ' ' GLN . 3.2 p-90 -128.83 135.72 49.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.22 -1.165 . . . . 0.0 109.428 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -154.67 145.42 12.56 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.461 -1.455 . . . . 0.0 109.461 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.45 172.64 8.07 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.284 -1.127 . . . . 0.0 109.492 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.312 -0.868 . . . . 0.0 109.307 179.805 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 13' ' ' LEU . 8.7 pt-20 -49.36 -37.69 25.7 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.127 -0.983 . . . . 0.0 109.379 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.455 ' N ' ' CG ' ' A' ' 12' ' ' GLU . 40.5 mt -64.86 -48.67 73.46 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.231 -0.918 . . . . 0.0 109.417 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.2 mt -58.61 -43.99 88.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.171 -0.956 . . . . 0.0 109.455 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -56.25 -66.55 0.41 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.326 -0.859 . . . . 0.0 109.483 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.3 mp -47.31 -45.01 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.244 -0.91 . . . . 0.0 109.343 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.554 ' NE2' HG21 ' A' ' 101' ' ' VAL . 0.0 OUTLIER -54.77 -42.95 72.34 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.225 -0.922 . . . . 0.0 109.617 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.615 ' NZ ' ' OD2' ' A' ' 98' ' ' ASP . 50.7 mttm -61.67 -37.76 85.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.149 -0.969 . . . . 0.0 109.584 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -61.87 -60.01 4.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.08 -1.013 . . . . 0.0 109.594 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.0 -34.08 8.82 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.274 -0.891 . . . . 0.0 109.389 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 22' ' ' ARG . 2.4 m -68.17 -58.7 4.03 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.295 -0.878 . . . . 0.0 109.409 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 21' ' ' THR . 6.4 mmm180 -44.86 -44.86 9.88 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.275 -0.89 . . . . 0.0 109.848 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -62.67 -46.6 87.44 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.145 -0.972 . . . . 0.0 109.951 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 55.6 mt -64.94 -55.4 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.264 -0.898 . . . . 0.0 109.822 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 22.7 mm -51.49 -29.88 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.168 -0.958 . . . . 0.0 109.648 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -66.22 -59.98 3.23 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.199 -0.938 . . . . 0.0 109.7 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.25 -46.92 36.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.304 -0.872 . . . . 0.0 109.842 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 29' ' ' LEU . 1.8 mt -64.06 -69.13 0.3 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.229 -0.919 . . . . 0.0 109.877 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -41.21 -37.89 1.01 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.202 -0.936 . . . . 0.0 109.588 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -58.93 -51.91 68.03 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.204 -0.935 . . . . 0.0 109.515 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.58 -29.64 52.06 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.149 -0.969 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 113.81 14.04 9.76 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.9 t -47.75 142.96 4.26 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.294 -1.121 . . . . 0.0 109.572 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -106.81 146.1 32.42 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.289 -0.882 . . . . 0.0 109.263 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -70.0 -18.9 35.58 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.686 2.257 . . . . 0.0 112.218 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -88.3 7.8 30.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.249 -0.907 . . . . 0.0 109.461 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -90.41 -10.56 43.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.254 -0.904 . . . . 0.0 109.676 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.0 tp 64.95 139.16 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.181 -0.949 . . . . 0.0 109.439 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -133.54 146.19 50.82 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.303 -0.873 . . . . 0.0 109.437 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -103.37 122.08 44.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.207 -0.933 . . . . 0.0 109.376 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.455 HG13 HE22 ' A' ' 100' ' ' GLN . 2.2 mm -91.2 126.02 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.245 -0.91 . . . . 0.0 109.611 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.17 116.65 32.3 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.294 -0.879 . . . . 0.0 109.323 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.501 ' ND1' ' CD1' ' A' ' 104' ' ' LEU . 14.2 m-70 -110.66 137.36 48.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.157 -0.964 . . . . 0.0 109.464 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.453 ' CD2' ' OD1' ' A' ' 85' ' ' ASP . 33.1 m170 -111.81 135.88 51.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.286 -0.884 . . . . 0.0 109.419 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 3.4 mp -140.47 144.55 36.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.179 -0.95 . . . . 0.0 109.601 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.552 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -129.73 154.28 47.34 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.303 -0.873 . . . . 0.0 109.497 179.876 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.593 ' HB1' ' HE3' ' A' ' 52' ' ' LYS . . . -135.5 171.2 14.78 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.22 -0.925 . . . . 0.0 109.373 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.555 ' H ' ' NZ ' ' A' ' 52' ' ' LYS . 2.1 mp0 -108.61 -12.29 14.99 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.296 -0.877 . . . . 0.0 109.488 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.498 ' H ' ' HE3' ' A' ' 52' ' ' LYS . 66.1 m-20 -135.65 127.63 29.58 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.295 -0.878 . . . . 0.0 109.555 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.76 -17.68 25.32 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.277 -0.89 . . . . 0.0 109.432 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.82 -68.65 0.33 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.27 -0.894 . . . . 0.0 109.447 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.593 ' HE3' ' HB1' ' A' ' 47' ' ' ALA . 5.3 pttt -60.81 -27.82 68.33 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.218 -0.926 . . . . 0.0 109.437 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.513 ' C ' HD23 ' A' ' 53' ' ' LEU . 4.7 tt -61.49 -56.53 19.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.277 -0.89 . . . . 0.0 109.573 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.86 -42.4 84.42 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.227 -0.92 . . . . 0.0 109.518 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -60.52 -60.92 3.03 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.244 -0.91 . . . . 0.0 109.529 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.21 -57.4 11.31 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.268 -0.895 . . . . 0.0 109.793 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.498 ' O ' ' C ' ' A' ' 58' ' ' VAL . . . -45.28 -62.67 1.17 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.149 -0.969 . . . . 0.0 109.685 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.498 ' C ' ' O ' ' A' ' 57' ' ' ALA . 2.0 t -38.6 -51.52 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.289 -0.882 . . . . 0.0 109.571 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.48 ' O ' ' C ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -55.54 -57.26 12.66 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.29 -0.881 . . . . 0.0 109.694 -179.638 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.48 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . -40.03 -47.09 2.23 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.2 -0.938 . . . . 0.0 109.587 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -63.36 -40.41 97.18 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.222 -0.924 . . . . 0.0 109.682 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -60.36 -41.14 93.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.235 -0.916 . . . . 0.0 109.571 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 28.2 mtm -69.12 -48.66 61.88 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.22 -0.925 . . . . 0.0 109.477 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.38 32.73 0.09 OUTLIER Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.624 ' CE2' ' SD ' ' A' ' 88' ' ' MET . 32.6 m-85 -108.73 118.56 37.09 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.26 -1.141 . . . . 0.0 109.465 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -69.37 86.71 0.43 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.209 -0.932 . . . . 0.0 109.416 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 67' ' ' VAL . 9.4 p -62.59 132.26 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.259 -0.901 . . . . 0.0 109.393 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.425 HD23 ' H ' ' A' ' 69' ' ' GLU . 0.5 OUTLIER -109.48 150.1 28.61 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.29 -0.881 . . . . 0.0 109.632 -179.75 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.425 ' H ' HD23 ' A' ' 68' ' ' LEU . 9.3 tt0 -48.95 152.85 0.96 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.43 -0.794 . . . . 0.0 109.667 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -101.27 167.71 10.02 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.472 -0.767 . . . . 0.0 109.202 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.516 ' O ' ' C ' ' A' ' 72' ' ' GLU . 71.7 tt0 -136.41 112.23 9.51 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.172 -0.955 . . . . 0.0 109.539 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.643 ' CD ' ' H ' ' A' ' 72' ' ' GLU . 1.2 pm0 -37.74 100.92 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.355 -0.84 . . . . 0.0 109.379 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 71' ' ' GLU . 12.5 t . . . . . 0 N--CA 1.489 1.491 0 O-C-N 121.299 -0.875 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 121.229 0.538 . . . . 0.0 109.65 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.725 ' H ' HD12 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -127.28 144.57 51.02 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.273 -0.892 . . . . 0.0 109.299 179.738 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.41 132.92 38.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.194 -0.941 . . . . 0.0 109.438 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.4 p -123.7 106.85 10.86 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.206 -0.934 . . . . 0.0 109.478 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 45' ' ' LEU . 9.0 p90 -99.14 161.39 13.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.114 -0.991 . . . . 0.0 109.382 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.453 ' OD1' ' CD2' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -109.23 171.48 7.41 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.251 -0.906 . . . . 0.0 109.715 -179.664 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -155.41 125.77 6.77 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.418 -0.802 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.46 149.82 35.72 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.085 -1.01 . . . . 0.0 109.82 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.624 ' SD ' ' CE2' ' A' ' 65' ' ' PHE . 13.0 ttt -152.55 111.07 3.74 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.372 -0.83 . . . . 0.0 109.37 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -58.43 144.37 42.26 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.29 -0.881 . . . . 0.0 109.653 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.47 170.63 14.23 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.28 -0.887 . . . . 0.0 109.421 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.54 ' O ' ' C ' ' A' ' 92' ' ' LEU . . . -102.3 122.13 43.63 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.218 -0.926 . . . . 0.0 109.561 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.54 ' C ' ' O ' ' A' ' 91' ' ' ALA . 4.7 tp -36.19 102.39 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.257 -0.902 . . . . 0.0 109.461 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.515 ' O ' ' C ' ' A' ' 94' ' ' ALA . 1.4 m-20 -159.73 97.22 1.29 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.198 -0.939 . . . . 0.0 109.561 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 93' ' ' ASP . . . -37.31 -47.0 0.8 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.257 -0.902 . . . . 0.0 109.416 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.463 ' HZ2' ' HB3' ' A' ' 95' ' ' LYS . 6.4 mtpm? -52.45 -55.0 24.84 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.224 -0.923 . . . . 0.0 109.404 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 99' ' ' GLU . 0.2 OUTLIER -64.7 -61.63 2.07 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.25 -0.906 . . . . 0.0 109.102 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.492 ' C ' ' O ' ' A' ' 96' ' ' LEU . 34.4 mt -38.68 -38.14 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.39 -0.819 . . . . 0.0 109.396 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.615 ' OD2' ' NZ ' ' A' ' 18' ' ' LYS . 89.9 m-20 -67.3 -41.42 85.38 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.192 -0.943 . . . . 0.0 109.321 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 96' ' ' LEU . 5.0 mm-40 -61.39 -43.06 99.52 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.313 -0.867 . . . . 0.0 109.374 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.455 HE22 HG13 ' A' ' 41' ' ' ILE . 7.5 mt-30 -63.27 -44.13 95.97 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.271 -0.893 . . . . 0.0 109.294 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.554 HG21 ' NE2' ' A' ' 17' ' ' GLN . 69.8 t -64.88 -63.13 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.295 -0.878 . . . . 0.0 109.493 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.539 ' C ' ' O ' ' A' ' 101' ' ' VAL . 4.2 tt0 -35.76 -47.57 0.5 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.299 -0.876 . . . . 0.0 109.553 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -60.3 -42.73 96.11 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.236 -0.915 . . . . 0.0 109.476 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 101' ' ' VAL . 84.2 mt -71.24 -17.81 62.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.303 -0.873 . . . . 0.0 109.698 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.0 t -82.51 -50.95 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.217 -0.927 . . . . 0.0 109.745 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.522 ' N ' ' OD1' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -66.04 -43.26 88.05 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.209 -0.932 . . . . 0.0 109.906 -179.69 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.15 -50.49 61.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.281 -0.887 . . . . 0.0 109.676 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.437 ' HB1' HG13 ' A' ' 113' ' ' ILE . . . -49.85 -53.25 26.84 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.276 -0.89 . . . . 0.0 109.722 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -69.29 -19.44 63.9 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.242 -0.911 . . . . 0.0 109.644 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.57 ' HZ3' ' HB3' ' A' ' 110' ' ' LYS . 2.1 ttpm? -68.01 -32.48 72.9 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.176 -0.953 . . . . 0.0 109.598 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.563 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 11.4 m-85 -97.7 -77.22 0.5 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.189 -0.944 . . . . 0.0 109.689 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.571 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER 170.41 30.62 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.197 -0.939 . . . . 0.0 109.681 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.437 HG13 ' HB1' ' A' ' 108' ' ' ALA . 22.2 pt -114.26 173.68 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.221 -0.925 . . . . 0.0 109.192 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.8 tt -123.85 131.23 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.049 -1.032 . . . . 0.0 109.822 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.687 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 1.4 t80 -101.89 95.55 6.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.404 -0.81 . . . . 0.0 108.932 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -142.05 80.48 1.71 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.232 -0.917 . . . . 0.0 109.683 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 159.3 77.27 0.02 OUTLIER Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -116.49 150.6 37.64 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.052 -1.264 . . . . 0.0 109.153 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.12 167.69 36.16 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 4.4 t -127.42 167.7 15.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.405 -1.056 . . . . 0.0 109.391 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.233 -0.917 . . . . 0.0 109.577 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.235 0.541 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.411 ' CG ' ' N ' ' A' ' 13' ' ' LEU . 5.3 pt-20 -56.68 -34.64 67.59 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.199 -0.938 . . . . 0.0 109.483 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.411 ' N ' ' CG ' ' A' ' 12' ' ' GLU . 89.4 mt -69.84 -43.19 72.43 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.19 -0.944 . . . . 0.0 109.309 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.2 mt -61.49 -37.94 78.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.286 -0.884 . . . . 0.0 109.506 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -63.05 -56.58 15.75 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.276 -0.89 . . . . 0.0 109.478 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.4 mt -47.94 -67.12 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.334 -0.854 . . . . 0.0 109.643 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -45.71 -39.16 7.7 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.305 -0.872 . . . . 0.0 109.777 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.2 ttmt -58.16 -39.51 79.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.223 -0.923 . . . . 0.0 109.56 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -74.01 -56.92 4.35 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.247 -0.908 . . . . 0.0 109.446 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -48.66 -61.24 2.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.268 -0.895 . . . . 0.0 109.571 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.489 ' O ' ' C ' ' A' ' 22' ' ' ARG . 98.4 m -48.04 -63.21 1.13 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.253 -0.904 . . . . 0.0 109.578 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.489 ' C ' ' O ' ' A' ' 21' ' ' THR . 1.5 ttp180 -39.05 -37.61 0.39 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.287 -0.883 . . . . 0.0 109.653 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -47.4 71.82 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.198 -0.939 . . . . 0.0 109.502 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.475 ' O ' ' C ' ' A' ' 25' ' ' ILE . 19.2 mt -63.32 -61.12 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.293 -0.879 . . . . 0.0 109.526 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.475 ' C ' ' O ' ' A' ' 24' ' ' ILE . 11.4 mm -39.21 -48.02 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.253 -0.904 . . . . 0.0 109.571 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -60.05 -43.07 95.62 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.181 -0.95 . . . . 0.0 109.397 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . -61.24 -65.03 0.76 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.26 -0.9 . . . . 0.0 109.424 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.668 ' O ' ' N ' ' A' ' 32' ' ' GLY . 13.9 mt -43.98 -52.3 7.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.309 -0.869 . . . . 0.0 109.378 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.7 mt -50.66 -33.64 23.26 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.255 -0.903 . . . . 0.0 109.538 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 27' ' ' ALA . 1.4 tt0 -74.2 -37.78 63.81 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.215 -0.928 . . . . 0.0 109.581 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -129.49 42.0 3.36 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.203 -0.935 . . . . 0.0 109.519 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.668 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -178.63 27.95 0.06 OUTLIER Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.53 75.35 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.248 -1.148 . . . . 0.0 109.599 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -138.32 52.24 4.55 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.138 -0.976 . . . . 0.0 109.411 179.806 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 34' ' ' ASP . 27.1 Cg_endo -65.47 -19.35 60.98 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.875 2.383 . . . . 0.0 112.225 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -85.46 -6.55 59.19 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.259 -0.901 . . . . 0.0 109.474 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.11 10.71 36.75 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.287 -0.883 . . . . 0.0 109.456 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER 64.56 141.25 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.284 -0.885 . . . . 0.0 109.359 179.897 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.432 ' CD1' ' HB2' ' A' ' 92' ' ' LEU . 2.1 m-85 -119.25 169.33 10.06 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.32 -0.863 . . . . 0.0 109.445 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -123.6 114.72 20.4 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.272 -0.893 . . . . 0.0 109.546 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.446 HD13 ' N ' ' A' ' 41' ' ' ILE . 6.6 mm -90.0 154.4 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.257 -0.902 . . . . 0.0 109.403 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -137.8 122.15 18.24 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.206 -0.934 . . . . 0.0 109.616 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -116.19 138.47 51.25 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.274 -0.891 . . . . 0.0 109.614 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -114.06 131.16 56.48 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.248 -0.908 . . . . 0.0 109.245 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 3.0 mp -135.42 147.75 49.09 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.365 -0.834 . . . . 0.0 109.428 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.601 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 1.7 p90 -134.66 150.61 50.66 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 0.0 109.656 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.46 176.91 8.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.444 -0.785 . . . . 0.0 109.682 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -112.09 -52.61 2.77 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.379 -0.825 . . . . 0.0 109.298 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.67 ' O ' ' N ' ' A' ' 51' ' ' ASP . 5.1 t0 -79.58 99.91 7.54 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.231 -0.918 . . . . 0.0 109.508 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -43.76 -12.08 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.244 -0.91 . . . . 0.0 109.506 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.67 ' N ' ' O ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -73.78 -66.69 0.67 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.198 -0.939 . . . . 0.0 109.512 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -59.96 -18.93 49.16 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.189 -0.944 . . . . 0.0 109.653 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.668 ' C ' HD23 ' A' ' 53' ' ' LEU . 3.7 tt -71.83 -62.95 1.24 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.184 -0.947 . . . . 0.0 109.605 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -59.84 -20.45 57.07 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.227 -0.921 . . . . 0.0 109.509 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -76.84 -54.98 5.9 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.28 -0.888 . . . . 0.0 109.384 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.96 -31.51 72.64 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.303 -0.873 . . . . 0.0 109.364 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.466 ' HB1' HG21 ' A' ' 67' ' ' VAL . . . -67.7 -51.62 47.37 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.317 -0.864 . . . . 0.0 109.475 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.9 t -50.41 -56.32 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.253 -0.904 . . . . 0.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -48.41 -52.79 20.35 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.248 -0.908 . . . . 0.0 109.384 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -46.67 -47.93 20.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.249 -0.907 . . . . 0.0 109.266 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -52.23 -54.22 33.77 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.318 -0.864 . . . . 0.0 109.489 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -46.94 -41.38 16.01 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.274 -0.891 . . . . 0.0 109.431 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 60.1 mtt -63.54 -56.97 11.82 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.249 -0.907 . . . . 0.0 109.381 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.07 43.34 0.04 OUTLIER Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 88' ' ' MET . 18.3 m-85 -113.32 145.97 40.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.283 -1.128 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.657 ' OE1' ' N ' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -89.42 70.87 8.08 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.254 -0.903 . . . . 0.0 109.415 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.466 HG21 ' HB1' ' A' ' 57' ' ' ALA . 5.9 p -46.57 149.11 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.242 -0.911 . . . . 0.0 109.411 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -132.6 150.03 52.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.294 -0.879 . . . . 0.0 109.59 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -56.45 172.79 0.21 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.258 -0.902 . . . . 0.0 109.696 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.476 ' HB1' ' H ' ' A' ' 83' ' ' CYS . . . -119.86 -179.86 4.04 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.427 -0.796 . . . . 0.0 109.416 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.472 ' O ' ' C ' ' A' ' 72' ' ' GLU . 43.7 tt0 -146.38 135.78 22.92 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.15 -0.969 . . . . 0.0 109.525 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -40.1 111.89 0.23 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.224 -0.923 . . . . 0.0 109.285 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.655 HG22 ' O ' ' A' ' 81' ' ' LEU . 11.9 t . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.21 -0.931 . . . . 0.0 109.65 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.655 ' O ' HG22 ' A' ' 73' ' ' THR . 0.6 OUTLIER -118.85 161.52 20.03 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.208 -0.933 . . . . 0.0 109.427 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.608 HD23 ' N ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -100.18 129.29 46.18 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.22 -0.925 . . . . 0.0 109.502 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.64 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 24.3 p -123.79 100.03 6.57 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.413 -0.804 . . . . 0.0 109.927 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.484 ' CZ ' ' HB2' ' A' ' 45' ' ' LEU . 19.3 p90 -89.87 157.76 17.75 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.214 -0.929 . . . . 0.0 108.748 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.671 ' OD1' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -112.27 171.56 7.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.082 -1.011 . . . . 0.0 110.352 -179.187 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.671 ' N ' ' OD1' ' A' ' 85' ' ' ASP . . . -150.91 110.82 4.08 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.13 159.31 15.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.304 -0.872 . . . . 0.0 109.953 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.481 ' SD ' ' NE2' ' A' ' 100' ' ' GLN . 0.9 OUTLIER -160.88 117.08 2.26 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.314 -0.866 . . . . 0.0 109.346 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -76.19 123.57 26.07 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.201 -0.937 . . . . 0.0 109.414 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.428 ' OG ' ' CD2' ' A' ' 96' ' ' LEU . 1.3 t -157.37 152.09 25.44 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.222 -0.924 . . . . 0.0 109.557 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.19 163.42 0.23 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.338 -0.851 . . . . 0.0 109.639 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.432 ' HB2' ' CD1' ' A' ' 39' ' ' TYR . 5.9 tp -92.07 106.17 18.25 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.241 -0.912 . . . . 0.0 109.335 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -152.84 121.54 6.44 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.202 -0.936 . . . . 0.0 109.542 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -47.87 -65.35 0.58 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.271 -0.893 . . . . 0.0 109.471 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.535 ' O ' ' N ' ' A' ' 98' ' ' ASP . 10.6 mttt -40.15 -65.0 0.44 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.254 -0.904 . . . . 0.0 109.424 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.465 ' C ' ' O ' ' A' ' 95' ' ' LYS . 0.4 OUTLIER -41.89 -56.05 2.87 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.196 -0.94 . . . . 0.0 109.193 179.855 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 32.6 mt -54.07 -27.98 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.396 -0.815 . . . . 0.0 109.29 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.535 ' N ' ' O ' ' A' ' 95' ' ' LYS . 0.4 OUTLIER -69.74 -56.39 7.3 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.265 -0.897 . . . . 0.0 109.447 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -56.35 -33.94 66.14 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.198 -0.939 . . . . 0.0 109.473 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.481 ' NE2' ' SD ' ' A' ' 88' ' ' MET . 31.0 mt-30 -69.16 -62.1 1.52 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.252 -0.905 . . . . 0.0 109.414 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.492 ' O ' HG23 ' A' ' 105' ' ' VAL . 38.0 t -52.34 -44.4 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.296 -0.877 . . . . 0.0 109.253 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.679 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 0.9 OUTLIER -56.18 -38.26 70.7 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.397 -0.814 . . . . 0.0 109.482 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 13.8 mttm -66.83 -42.6 85.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.165 -0.96 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.9 mt -68.52 -32.05 71.74 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.191 -0.943 . . . . 0.0 109.393 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 101' ' ' VAL . 75.8 t -68.51 -39.3 80.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.368 -0.833 . . . . 0.0 109.862 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.679 ' ND2' ' O ' ' A' ' 102' ' ' GLU . 0.4 OUTLIER -68.34 -52.67 30.79 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.229 -0.919 . . . . 0.0 109.713 -179.743 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.3 tp -58.9 -51.0 71.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.08 -1.013 . . . . 0.0 109.55 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.3 -56.72 5.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.335 -0.853 . . . . 0.0 109.709 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -67.07 -16.67 64.49 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.244 -0.91 . . . . 0.0 109.738 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.3 tttm -76.04 -23.12 55.09 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.139 -0.976 . . . . 0.0 109.661 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.476 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 23.5 m-85 -107.79 -77.2 0.6 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.184 -0.947 . . . . 0.0 109.852 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.3 OUTLIER 167.92 34.96 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.062 -1.023 . . . . 0.0 109.838 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.2 pt -119.46 157.23 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.092 -1.005 . . . . 0.0 109.559 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.479 HG23 ' CZ ' ' A' ' 46' ' ' PHE . 0.7 OUTLIER -104.19 120.78 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.285 -0.884 . . . . 0.0 109.429 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.564 ' CD1' ' O ' ' A' ' 115' ' ' TYR . 2.5 t80 -97.61 111.57 23.79 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.285 -0.884 . . . . 0.0 109.424 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.636 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 2.6 p-10 -160.08 79.17 0.68 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.232 -0.917 . . . . 0.0 109.585 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 171.57 68.75 0.04 OUTLIER Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.433 -1.467 . . . . 0.0 109.433 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -111.42 146.17 37.65 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.204 -1.174 . . . . 0.0 109.584 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -164.54 174.3 40.55 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.95 169.79 16.91 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.232 -1.158 . . . . 0.0 109.605 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 N--CA 1.49 1.562 0 O-C-N 121.228 -0.92 . . . . 0.0 109.398 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.507 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 22.8 tt0 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.244 0.545 . . . . 0.0 109.698 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 13' ' ' LEU . 2.0 mt-10 -54.53 -57.83 9.83 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.258 -0.902 . . . . 0.0 109.743 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.464 ' N ' HD23 ' A' ' 13' ' ' LEU . 7.3 mt -44.04 -44.96 7.74 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.206 -0.933 . . . . 0.0 109.629 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.2 mt -61.08 -39.18 81.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.152 -0.967 . . . . 0.0 109.513 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.507 ' OE1' ' O ' ' A' ' 11' ' ' GLU . 2.0 mp0 -63.12 -57.06 11.84 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.273 -0.892 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.0 mm -54.52 -29.39 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.247 -0.908 . . . . 0.0 109.505 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.417 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -74.43 -37.3 63.33 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.328 -0.857 . . . . 0.0 109.375 -179.885 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -64.02 -37.98 89.42 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.333 -0.855 . . . . 0.0 109.368 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -72.24 -44.53 62.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.219 -0.926 . . . . 0.0 109.262 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.3 -55.07 38.18 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.354 -0.841 . . . . 0.0 109.265 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 17' ' ' GLN . 1.5 m -47.61 -57.6 5.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.317 -0.865 . . . . 0.0 109.339 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -49.82 -38.23 33.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.302 -0.874 . . . . 0.0 109.473 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -65.88 -41.75 91.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.222 -0.924 . . . . 0.0 109.562 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.481 ' O ' ' C ' ' A' ' 25' ' ' ILE . 86.0 mt -72.3 -63.58 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.189 -0.944 . . . . 0.0 109.511 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.481 ' C ' ' O ' ' A' ' 24' ' ' ILE . 34.6 mm -39.25 -38.4 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.216 -0.928 . . . . 0.0 109.406 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -68.55 -55.03 13.02 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.189 -0.944 . . . . 0.0 109.382 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.46 -48.71 65.68 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.321 -0.862 . . . . 0.0 109.48 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.67 ' O ' ' N ' ' A' ' 32' ' ' GLY . 15.5 mt -55.39 -54.57 42.1 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.181 -0.949 . . . . 0.0 109.263 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 25' ' ' ILE . 7.2 mp -58.03 -19.02 28.07 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.347 -0.845 . . . . 0.0 109.567 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.56 ' O ' ' OD1' ' A' ' 31' ' ' ASP . 20.2 tt0 -81.79 -31.6 31.76 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.13 -0.981 . . . . 0.0 109.582 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.56 ' OD1' ' O ' ' A' ' 30' ' ' GLU . 22.1 m-20 -143.36 29.88 1.41 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.194 -0.941 . . . . 0.0 109.699 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.67 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -173.4 38.74 0.14 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.514 ' O ' ' O ' ' A' ' 32' ' ' GLY . 68.0 m -57.99 -121.43 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.259 -1.142 . . . . 0.0 109.491 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.536 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 3.9 m-20 53.89 49.09 5.46 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.296 -0.878 . . . . 0.0 109.548 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 34' ' ' ASP . 40.6 Cg_endo -70.31 -2.66 10.94 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.746 2.297 . . . . 0.0 112.054 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.641 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 0.2 OUTLIER -88.5 -17.3 30.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.22 -0.925 . . . . 0.0 109.395 179.902 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' A' ' 38' ' ' LEU . . . -71.08 -84.32 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.25 -0.906 . . . . 0.0 109.34 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.407 ' CB ' ' O ' ' A' ' 37' ' ' ALA . 0.9 OUTLIER 169.04 150.44 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.237 -0.914 . . . . 0.0 109.481 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -138.22 157.89 45.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.306 -0.871 . . . . 0.0 109.457 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -119.57 116.04 25.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.305 -0.872 . . . . 0.0 109.462 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.875 HD12 ' N ' ' A' ' 41' ' ' ILE . 1.8 mp -85.65 136.87 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.329 -0.857 . . . . 0.0 109.325 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.431 ' OE2' ' CE2' ' A' ' 121' ' ' TYR . 6.3 mt-10 -113.46 126.39 55.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.125 -0.984 . . . . 0.0 109.749 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.5 ' CD2' ' CD1' ' A' ' 104' ' ' LEU . 71.5 m-70 -117.39 129.72 56.03 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.301 -0.874 . . . . 0.0 109.075 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.532 ' C ' HD12 ' A' ' 45' ' ' LEU . 26.3 m80 -109.22 134.01 52.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.148 -0.97 . . . . 0.0 109.938 -179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.532 HD12 ' C ' ' A' ' 44' ' ' HIS . 5.5 mp -137.05 142.88 42.42 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.458 -0.776 . . . . 0.0 109.249 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.676 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -119.37 157.74 27.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.218 -0.926 . . . . 0.0 109.661 -179.854 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.502 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -138.68 173.72 11.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.333 -0.854 . . . . 0.0 109.533 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.505 ' H ' ' HE3' ' A' ' 52' ' ' LYS . 30.1 mt-10 -109.89 -29.04 8.46 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.282 -0.886 . . . . 0.0 109.588 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.473 ' H ' ' CE ' ' A' ' 52' ' ' LYS . 11.7 t0 -118.8 133.82 55.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.208 -0.933 . . . . 0.0 109.586 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -60.73 -25.02 66.15 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.288 -0.883 . . . . 0.0 109.455 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.83 -74.08 0.08 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.245 -0.91 . . . . 0.0 109.602 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.505 ' HE3' ' H ' ' A' ' 48' ' ' GLU . 19.7 pttt -56.62 -25.37 52.93 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.26 -0.9 . . . . 0.0 109.642 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.502 HD12 ' HB3' ' A' ' 47' ' ' ALA . 3.9 tt -64.3 -53.9 41.57 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.16 -0.963 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.406 ' O ' HG23 ' A' ' 58' ' ' VAL . 21.0 mm-40 -63.72 -28.24 69.76 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.176 -0.953 . . . . 0.0 109.193 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 111' ' ' PHE . 38.8 mmtt -67.97 -67.84 0.43 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.273 -0.892 . . . . 0.0 109.333 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.54 -48.16 38.74 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.276 -0.89 . . . . 0.0 109.297 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.31 -62.21 1.8 Allowed 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.293 -0.879 . . . . 0.0 109.246 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 54' ' ' GLU . 50.3 t -49.45 -36.71 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.248 -0.907 . . . . 0.0 109.179 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -51.86 66.55 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.285 -0.885 . . . . 0.0 109.246 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.51 -44.98 95.05 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.314 -0.866 . . . . 0.0 109.204 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -52.16 -35.61 49.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.269 -0.895 . . . . 0.0 109.297 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 63' ' ' MET . 10.0 tttm -71.27 -53.68 13.45 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.239 -0.913 . . . . 0.0 109.364 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 62' ' ' LYS . 33.2 mtm -42.71 -49.26 5.64 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.284 -0.885 . . . . 0.0 109.447 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.05 33.91 0.09 OUTLIER Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.424 ' CD2' ' HB2' ' A' ' 88' ' ' MET . 54.4 m-85 -107.66 154.27 21.71 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.239 -1.154 . . . . 0.0 109.504 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.58 74.72 3.24 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.257 -0.902 . . . . 0.0 109.228 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 p -46.41 144.8 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.291 -0.881 . . . . 0.0 109.501 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.507 ' O ' ' O ' ' A' ' 69' ' ' GLU . 0.8 OUTLIER -128.38 136.06 50.39 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.294 -0.879 . . . . 0.0 109.353 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.507 ' O ' ' O ' ' A' ' 68' ' ' LEU . 41.6 tt0 -39.6 161.61 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.245 -0.909 . . . . 0.0 109.399 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.453 ' N ' ' HG2' ' A' ' 69' ' ' GLU . . . -104.96 176.88 5.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.178 -0.951 . . . . 0.0 109.765 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 73' ' ' THR . 3.7 tt0 -131.16 120.54 23.46 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.37 -0.832 . . . . 0.0 109.158 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.81 89.25 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.245 -0.91 . . . . 0.0 109.81 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 71' ' ' GLU . 2.8 t . . . . . 0 N--CA 1.49 1.575 0 O-C-N 121.306 -0.871 . . . . 0.0 109.308 179.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.7 mttp . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 pp -136.18 141.8 44.08 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.287 -0.883 . . . . 0.0 109.31 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.575 ' CD1' ' N ' ' A' ' 82' ' ' LEU . 5.5 mp -81.21 130.71 35.15 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.207 -0.933 . . . . 0.0 109.805 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.6 p -123.27 100.74 7.0 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.475 -0.765 . . . . 0.0 109.291 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 45' ' ' LEU . 29.3 p90 -91.86 146.8 23.46 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.314 -0.866 . . . . 0.0 109.45 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.623 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 0.1 OUTLIER -107.48 164.23 12.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.239 -0.913 . . . . 0.0 109.685 -179.728 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -143.01 128.61 19.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.355 -0.841 . . . . 0.0 109.158 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.55 139.44 43.31 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.153 -0.967 . . . . 0.0 109.792 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.424 ' HB2' ' CD2' ' A' ' 65' ' ' PHE . 0.8 OUTLIER -131.0 100.27 5.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.367 -0.833 . . . . 0.0 109.112 179.709 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -67.69 122.72 18.68 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.217 -0.927 . . . . 0.0 109.793 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 93.3 p -165.46 170.74 14.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.338 -0.851 . . . . 0.0 109.302 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.12 -179.11 0.27 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.173 -0.954 . . . . 0.0 109.512 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.7 tp -107.74 98.44 8.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.247 -0.908 . . . . 0.0 109.613 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.469 ' O ' ' C ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -142.08 107.41 5.01 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.198 -0.939 . . . . 0.0 109.282 179.769 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.605 ' HA ' HD12 ' A' ' 97' ' ' ILE . . . -38.67 -73.2 0.05 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.207 -0.933 . . . . 0.0 109.661 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.535 ' C ' ' O ' ' A' ' 94' ' ' ALA . 15.7 mmtt -32.73 -60.0 0.32 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.407 -0.808 . . . . 0.0 109.902 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.4 tp -49.77 -45.02 49.16 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.175 -0.953 . . . . 0.0 109.362 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' A' ' 94' ' ' ALA . 43.7 mt -59.03 -25.33 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.221 -0.925 . . . . 0.0 109.213 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -74.37 -42.23 59.66 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.254 -0.904 . . . . 0.0 109.242 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -63.97 -39.09 93.35 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.217 -0.927 . . . . 0.0 109.282 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -71.6 -48.89 45.16 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.292 -0.88 . . . . 0.0 109.234 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.555 HG13 ' CE2' ' A' ' 115' ' ' TYR . 12.3 t -57.4 -49.29 80.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.183 -0.948 . . . . 0.0 109.091 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -56.51 -44.11 80.41 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.2 -0.937 . . . . 0.0 108.954 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -57.12 -43.81 82.7 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.436 -0.79 . . . . 0.0 108.884 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.5 ' CD1' ' CD2' ' A' ' 43' ' ' HIS . 43.4 mt -66.72 -26.99 67.27 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.356 -0.84 . . . . 0.0 109.014 179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.538 HG12 ' N ' ' A' ' 106' ' ' ASN . 2.8 t -72.15 -68.1 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.342 -0.849 . . . . 0.0 109.233 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.538 ' N ' HG12 ' A' ' 105' ' ' VAL . 69.1 m-80 -43.93 -35.69 2.12 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.235 -0.915 . . . . 0.0 109.128 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 110' ' ' LYS . 6.4 tp -69.95 -55.36 9.84 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.408 -0.808 . . . . 0.0 109.554 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 107' ' ' LEU . . . -44.36 -53.74 6.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.272 -0.893 . . . . 0.0 109.516 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -67.77 -23.12 65.19 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.241 -0.912 . . . . 0.0 109.447 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 107' ' ' LEU . 4.1 ttpp -63.55 -33.61 75.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.268 -0.895 . . . . 0.0 109.492 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.538 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 4.5 m-85 -102.36 -77.07 0.56 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.253 -0.904 . . . . 0.0 109.493 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.538 ' OD1' ' O ' ' A' ' 111' ' ' PHE . 0.8 OUTLIER 168.45 32.93 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.325 -0.859 . . . . 0.0 109.361 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 12.9 pt -117.18 -179.9 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.273 -0.892 . . . . 0.0 109.339 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.1 tt -124.52 150.81 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.235 -0.915 . . . . 0.0 109.844 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.625 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 6.7 t80 -125.13 92.11 3.57 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.329 -0.857 . . . . 0.0 109.116 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -140.9 64.57 1.42 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.267 -0.895 . . . . 0.0 109.687 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.503 ' O ' ' ND1' ' A' ' 44' ' ' HIS . . . 177.53 84.78 0.06 OUTLIER Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.92 -1.272 . . . . 0.0 109.92 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -120.44 147.73 44.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.228 -1.16 . . . . 0.0 109.09 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.95 152.83 23.35 Favored Glycine 0 N--CA 1.491 2.329 0 C-N-CA 119.652 -1.261 . . . . 0.0 110.016 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 6.0 t -134.65 158.37 44.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.364 -1.08 . . . . 0.0 109.347 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.431 ' CE2' ' OE2' ' A' ' 42' ' ' GLU . 45.7 m-85 . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.192 -0.943 . . . . 0.0 109.557 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 13' ' ' LEU . 1.2 mt-10 -75.09 -58.73 3.1 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.207 -0.933 . . . . 0.0 109.343 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 12' ' ' GLU . 14.6 mt -45.18 -40.7 7.47 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.203 -0.936 . . . . 0.0 109.28 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.597 ' CG2' ' HZ3' ' A' ' 18' ' ' LYS . 43.1 mt -64.35 -68.9 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.232 -0.917 . . . . 0.0 109.33 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.544 ' C ' ' O ' ' A' ' 14' ' ' ILE . 3.8 mm-40 -35.68 -42.25 0.24 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.252 -0.905 . . . . 0.0 109.396 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 32.7 mt -67.43 -62.02 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.179 -0.95 . . . . 0.0 109.332 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.2 mm100 -46.29 -36.95 6.73 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.125 -0.985 . . . . 0.0 109.186 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.597 ' HZ3' ' CG2' ' A' ' 14' ' ' ILE . 20.7 mttp -60.93 -63.64 1.23 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.217 -0.927 . . . . 0.0 109.032 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.683 ' N ' HH21 ' A' ' 22' ' ' ARG . 3.5 tt0 -49.51 -60.77 2.56 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.361 -0.837 . . . . 0.0 109.215 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 23' ' ' ASP . 15.1 tt0 -45.62 -64.84 0.64 Allowed 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.247 -0.908 . . . . 0.0 109.163 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 20' ' ' GLU . 47.9 m -38.45 -65.49 0.34 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.38 -0.825 . . . . 0.0 109.416 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.683 HH21 ' N ' ' A' ' 19' ' ' GLU . 13.3 mtm180 -43.25 -35.3 1.4 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.279 -0.888 . . . . 0.0 109.192 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 20' ' ' GLU . 7.0 t0 -59.93 -48.05 83.28 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.355 -0.841 . . . . 0.0 109.358 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.468 ' O ' ' C ' ' A' ' 25' ' ' ILE . 54.4 mt -66.69 -59.68 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.271 -0.893 . . . . 0.0 109.317 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.494 ' N ' HD13 ' A' ' 25' ' ' ILE . 5.4 mm -40.53 -51.03 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.202 -0.936 . . . . 0.0 109.266 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -52.86 -50.82 63.03 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.234 -0.916 . . . . 0.0 109.481 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.507 ' O ' ' OD1' ' A' ' 31' ' ' ASP . . . -59.46 -69.28 0.21 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.203 -0.936 . . . . 0.0 109.463 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.502 ' C ' ' O ' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -36.93 -36.4 0.12 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.324 -0.86 . . . . 0.0 109.314 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' ALA . 1.6 mp -71.49 -46.81 58.81 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.277 -0.889 . . . . 0.0 109.375 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 27' ' ' ALA . 4.5 tt0 -62.89 -32.44 73.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.303 -0.873 . . . . 0.0 109.361 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.662 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -64.72 -29.91 70.9 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.331 -0.856 . . . . 0.0 109.552 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.95 21.91 6.84 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.461 -1.455 . . . . 0.0 109.461 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m -55.86 -170.98 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.295 -1.12 . . . . 0.0 109.576 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -143.96 87.6 7.96 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.295 -0.878 . . . . 0.0 109.52 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.437 ' C ' ' H ' ' A' ' 37' ' ' ALA . 52.3 Cg_exo -51.56 -34.64 53.15 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.968 2.445 . . . . 0.0 112.423 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -71.74 11.55 0.49 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.139 -0.976 . . . . 0.0 109.733 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.437 ' H ' ' C ' ' A' ' 35' ' ' PRO . . . -109.7 13.82 23.58 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.157 -0.965 . . . . 0.0 109.646 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 64.6 143.48 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.226 -0.922 . . . . 0.0 109.435 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -131.44 150.5 52.13 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.211 -0.93 . . . . 0.0 109.478 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.423 ' HB3' HE21 ' A' ' 89' ' ' GLN . 1.2 mp0 -104.99 120.18 40.83 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.309 -0.87 . . . . 0.0 109.208 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.401 ' N ' HD13 ' A' ' 41' ' ' ILE . 4.8 mm -93.22 137.98 21.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.195 -0.941 . . . . 0.0 109.542 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.32 137.01 52.13 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.21 -0.931 . . . . 0.0 109.402 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.404 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 32.9 m-70 -129.57 126.36 38.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.23 -0.919 . . . . 0.0 109.594 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -106.05 113.78 27.53 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.276 -0.89 . . . . 0.0 109.403 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.488 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 1.4 mp -118.91 148.12 43.27 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.229 -0.919 . . . . 0.0 109.567 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.508 ' CD1' ' N ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -133.43 159.77 39.37 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.362 -0.836 . . . . 0.0 109.425 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.544 ' HB2' HG22 ' A' ' 113' ' ' ILE . . . -142.49 160.42 40.32 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.308 -0.87 . . . . 0.0 109.609 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -97.81 -12.46 22.18 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.281 -0.887 . . . . 0.0 109.368 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -117.9 124.41 48.21 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.272 -0.893 . . . . 0.0 109.421 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.751 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -59.92 -28.99 68.07 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.212 -0.93 . . . . 0.0 109.307 179.861 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.86 -45.72 49.3 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.331 -0.856 . . . . 0.0 109.099 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -19.91 66.2 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.326 -0.859 . . . . 0.0 108.915 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.469 ' C ' HD23 ' A' ' 53' ' ' LEU . 8.6 tt -74.99 -53.43 8.95 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.409 -0.807 . . . . 0.0 109.363 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -61.91 -36.41 81.27 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.339 -0.85 . . . . 0.0 109.562 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -63.97 -64.45 0.89 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.267 -0.896 . . . . 0.0 109.728 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.48 -50.35 72.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.254 -0.904 . . . . 0.0 109.789 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.645 ' HB1' HG21 ' A' ' 67' ' ' VAL . . . -53.52 -45.97 69.96 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.213 -0.93 . . . . 0.0 109.586 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.511 HG12 ' N ' ' A' ' 59' ' ' GLU . 2.3 t -52.63 -62.49 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.25 -0.906 . . . . 0.0 109.538 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.511 ' N ' HG12 ' A' ' 58' ' ' VAL . 3.2 tt0 -50.01 -25.05 3.0 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.206 -0.934 . . . . 0.0 109.618 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 57' ' ' ALA . . . -71.65 -49.24 41.79 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.22 -0.925 . . . . 0.0 109.67 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.603 ' CD1' ' C ' ' A' ' 61' ' ' PHE . 1.5 t80 -63.75 -32.58 74.13 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.276 -0.89 . . . . 0.0 109.615 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -69.46 -33.53 73.04 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.157 -0.964 . . . . 0.0 109.59 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 8.1 mtm -72.13 -47.11 53.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.295 -0.878 . . . . 0.0 109.591 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 146.62 15.23 0.16 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 67' ' ' VAL . 77.5 m-85 -97.01 112.38 24.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.26 -1.141 . . . . 0.0 109.422 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -59.45 84.63 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.272 -0.892 . . . . 0.0 109.406 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.645 HG21 ' HB1' ' A' ' 57' ' ' ALA . 5.0 p -63.1 137.55 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.398 -0.813 . . . . 0.0 109.655 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.63 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.5 OUTLIER -114.81 139.88 49.38 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.211 -0.93 . . . . 0.0 109.252 179.668 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.546 ' CD ' ' H ' ' A' ' 70' ' ' ALA . 15.7 tp10 -47.83 150.88 0.99 Allowed 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.263 -0.898 . . . . 0.0 109.412 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.546 ' H ' ' CD ' ' A' ' 69' ' ' GLU . . . -102.61 162.91 12.55 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.253 -0.904 . . . . 0.0 109.66 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -125.13 139.56 53.66 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.397 -0.814 . . . . 0.0 109.165 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.578 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 1.1 pm0 -61.12 121.73 13.22 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.285 -0.884 . . . . 0.0 109.681 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.5 t . . . . . 0 N--CA 1.489 1.505 0 O-C-N 121.225 -0.922 . . . . 0.0 109.263 179.777 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.919 ' H ' HD12 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -129.46 165.47 21.54 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.206 -0.934 . . . . 0.0 109.644 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.674 ' N ' HD12 ' A' ' 82' ' ' LEU . 8.1 mp -107.55 139.89 41.39 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.317 -0.864 . . . . 0.0 109.419 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.468 ' N ' ' HB1' ' A' ' 70' ' ' ALA . 2.3 t -125.45 107.73 10.95 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.254 -0.903 . . . . 0.0 109.832 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.625 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.8 OUTLIER -93.27 151.33 19.87 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.29 -0.881 . . . . 0.0 108.985 179.393 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.63 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -103.79 150.6 23.95 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.117 -0.989 . . . . 0.0 109.702 -179.735 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.404 ' HB3' ' HB2' ' A' ' 43' ' ' HIS . . . -130.24 140.15 50.73 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.399 -0.813 . . . . 0.0 109.427 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.9 143.74 50.69 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.232 -0.917 . . . . 0.0 109.537 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.13 115.76 5.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.222 -0.924 . . . . 0.0 109.518 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.423 HE21 ' HB3' ' A' ' 40' ' ' GLU . 6.2 mp0 -76.09 133.77 40.2 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.224 -0.923 . . . . 0.0 109.416 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.3 p -167.58 161.73 13.83 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.157 -0.965 . . . . 0.0 109.485 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.83 133.74 49.72 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.209 -0.932 . . . . 0.0 109.467 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.48 85.01 0.1 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.23 -0.919 . . . . 0.0 109.382 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.24 126.4 31.46 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.173 -0.954 . . . . 0.0 109.525 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -46.0 -59.82 2.63 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.201 -0.937 . . . . 0.0 109.463 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 94' ' ' ALA . 2.0 mmtp -44.57 -48.53 10.31 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.257 -0.902 . . . . 0.0 109.494 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 mp -58.5 -55.77 30.8 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.173 -0.955 . . . . 0.0 109.645 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.432 ' O ' HG23 ' A' ' 101' ' ' VAL . 56.6 mt -57.14 -23.05 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.295 -0.878 . . . . 0.0 109.774 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -67.96 -54.83 15.61 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.137 -0.977 . . . . 0.0 109.392 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -67.68 -35.83 79.56 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.204 -0.935 . . . . 0.0 109.455 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.18 -50.94 71.68 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.242 -0.911 . . . . 0.0 109.438 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.571 HG13 ' CE2' ' A' ' 115' ' ' TYR . 91.4 t -64.24 -44.42 97.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.325 -0.86 . . . . 0.0 109.617 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -56.47 -29.31 61.59 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.185 -0.947 . . . . 0.0 109.468 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -72.6 -46.84 52.28 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.238 -0.914 . . . . 0.0 109.54 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 104' ' ' LEU . 96.7 mt -67.97 -38.82 83.21 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.186 -0.946 . . . . 0.0 109.506 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.3 t -66.75 -36.88 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.263 -0.898 . . . . 0.0 109.23 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -65.66 -59.14 4.23 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.22 -0.925 . . . . 0.0 109.29 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.44 ' CD1' ' OE2' ' A' ' 59' ' ' GLU . 1.6 tp -57.99 -35.91 71.89 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.286 -0.884 . . . . 0.0 109.142 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.06 -58.22 6.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.29 -0.881 . . . . 0.0 109.735 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.84 -19.41 62.56 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.213 -0.929 . . . . 0.0 109.782 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -82.11 -23.81 35.48 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.202 -0.936 . . . . 0.0 109.679 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.558 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 0.6 OUTLIER -99.31 -77.34 0.52 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.108 -0.995 . . . . 0.0 109.879 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.558 ' OD1' ' O ' ' A' ' 111' ' ' PHE . 3.2 m-20 162.49 36.9 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.104 -0.997 . . . . 0.0 109.55 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.544 HG22 ' HB2' ' A' ' 47' ' ' ALA . 16.7 pt -120.46 172.8 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.302 -0.874 . . . . 0.0 109.189 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.5 tt -112.89 135.01 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.158 -0.964 . . . . 0.0 109.519 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.641 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 20.4 t80 -106.93 89.61 3.05 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.198 -0.939 . . . . 0.0 109.412 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -146.2 78.19 1.51 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.24 -0.912 . . . . 0.0 109.55 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 170.48 62.66 0.04 OUTLIER Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.908 -1.277 . . . . 0.0 109.908 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.672 ' CE3' ' N ' ' A' ' 119' ' ' GLY . 2.3 p-90 -112.41 164.85 12.77 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.159 -1.201 . . . . 0.0 109.165 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.672 ' N ' ' CE3' ' A' ' 118' ' ' TRP . . . 168.5 159.61 14.52 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -116.18 166.11 12.4 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.36 -1.082 . . . . 0.0 109.372 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.489 1.518 0 O-C-N 121.187 -0.945 . . . . 0.0 109.468 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -68.46 -43.6 76.65 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.321 -0.862 . . . . 0.0 109.386 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.414 ' HB3' ' NE2' ' A' ' 17' ' ' GLN . 30.0 mt -63.78 -62.14 1.84 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.39 -0.819 . . . . 0.0 109.552 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 27.8 mt -49.84 -51.83 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.241 -0.912 . . . . 0.0 109.771 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -44.54 -64.31 0.72 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.305 -0.872 . . . . 0.0 109.948 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.526 ' O ' ' C ' ' A' ' 17' ' ' GLN . 72.1 mt -59.72 -59.9 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.162 -0.961 . . . . 0.0 109.735 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.526 ' C ' ' O ' ' A' ' 16' ' ' ILE . 29.6 mt-30 -35.96 -35.28 0.06 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.187 -0.946 . . . . 0.0 109.571 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.5 ' O ' ' C ' ' A' ' 19' ' ' GLU . 62.9 mttt -72.24 -67.85 0.51 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.267 -0.896 . . . . 0.0 109.29 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.5 ' C ' ' O ' ' A' ' 18' ' ' LYS . 5.8 mt-10 -39.66 -35.77 0.35 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.225 -0.922 . . . . 0.0 109.187 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 23' ' ' ASP . 12.2 mm-40 -67.8 -64.96 0.75 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.363 -0.836 . . . . 0.0 109.314 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.507 ' C ' ' O ' ' A' ' 20' ' ' GLU . 32.0 m -37.56 -46.29 0.83 Allowed 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.255 -0.903 . . . . 0.0 109.208 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.7 ' CG ' HH11 ' A' ' 22' ' ' ARG . 0.7 OUTLIER -59.71 -40.31 87.55 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.248 -0.908 . . . . 0.0 109.362 179.823 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.556 ' N ' ' O ' ' A' ' 20' ' ' GLU . 22.4 t0 -61.07 -44.49 97.29 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.313 -0.867 . . . . 0.0 109.281 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 70.9 mt -67.13 -64.25 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.254 -0.904 . . . . 0.0 109.378 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.401 HD13 HG22 ' A' ' 21' ' ' THR . 1.6 mp -46.28 -37.71 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.247 -0.908 . . . . 0.0 109.274 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.551 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -61.43 -42.9 99.47 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.284 -0.885 . . . . 0.0 109.38 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.16 -50.78 64.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.34 -0.85 . . . . 0.0 109.399 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.483 HD22 ' OH ' ' A' ' 39' ' ' TYR . 15.4 mt -54.16 -62.02 1.93 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.218 -0.926 . . . . 0.0 109.341 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' A' ' 29' ' ' LEU . 3.7 mm? -48.65 -50.01 34.88 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.152 -0.967 . . . . 0.0 109.017 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.562 ' OE2' ' O ' ' A' ' 30' ' ' GLU . 6.5 tp10 -51.61 -40.58 60.13 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.312 -0.868 . . . . 0.0 109.27 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.22 -48.49 81.26 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.295 -0.878 . . . . 0.0 109.441 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 131.5 14.7 1.7 Allowed Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.1 164.31 26.78 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.195 -1.18 . . . . 0.0 109.439 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.31 156.06 80.55 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.144 -0.972 . . . . 0.0 109.68 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -70.36 4.61 2.35 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.884 2.389 . . . . 0.0 111.966 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 36' ' ' ASP . 0.7 OUTLIER -92.03 -6.63 50.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.29 -0.881 . . . . 0.0 109.559 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -98.99 11.88 37.65 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.246 -0.909 . . . . 0.0 109.687 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 38' ' ' LEU . 3.8 mm? 54.43 171.6 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.123 -0.986 . . . . 0.0 109.542 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.483 ' OH ' HD22 ' A' ' 28' ' ' LEU . 1.5 m-85 -154.28 150.61 28.19 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.204 -0.935 . . . . 0.0 109.412 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.605 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 4.6 mp0 -104.7 119.93 40.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.202 -0.936 . . . . 0.0 109.72 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.649 HD12 ' N ' ' A' ' 41' ' ' ILE . 2.0 mp -106.27 128.08 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.337 -0.852 . . . . 0.0 109.139 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -116.76 135.54 53.67 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.121 -0.987 . . . . 0.0 109.875 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.47 ' ND1' ' HB2' ' A' ' 118' ' ' TRP . 90.3 m-70 -116.89 149.63 39.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.335 -0.853 . . . . 0.0 109.152 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 44.3 m170 -118.02 131.67 56.45 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.21 -0.931 . . . . 0.0 109.811 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.888 ' N ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -141.66 132.65 26.05 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.289 -0.882 . . . . 0.0 109.365 179.761 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.74 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -125.45 163.58 22.34 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.206 -0.934 . . . . 0.0 109.475 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.557 ' HB1' ' HE2' ' A' ' 52' ' ' LYS . . . -150.12 166.61 29.27 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.259 -0.9 . . . . 0.0 109.573 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -103.63 -34.0 8.78 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.243 -0.911 . . . . 0.0 109.404 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.557 ' H ' ' HZ1' ' A' ' 52' ' ' LYS . 92.3 m-20 -99.53 109.73 22.24 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.352 -0.843 . . . . 0.0 109.318 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -50.31 -22.8 1.95 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.216 -0.928 . . . . 0.0 109.678 -179.81 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -60.04 -67.36 0.4 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.144 -0.972 . . . . 0.0 109.67 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.557 ' HE2' ' HB1' ' A' ' 47' ' ' ALA . 5.5 pttt -60.92 -32.56 72.04 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.256 -0.902 . . . . 0.0 109.814 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.512 HD12 ' HB3' ' A' ' 47' ' ' ALA . 7.3 tt -55.4 -43.95 75.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.301 -0.874 . . . . 0.0 109.79 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.09 -46.73 61.23 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.136 -0.978 . . . . 0.0 109.766 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 111' ' ' PHE . 7.4 mtpp -57.29 -43.26 83.02 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.217 -0.927 . . . . 0.0 109.829 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.39 -37.61 80.55 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.195 -0.941 . . . . 0.0 109.904 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.85 -49.28 68.73 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.133 -0.98 . . . . 0.0 109.67 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.5 t -53.69 -61.78 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.262 -0.899 . . . . 0.0 109.621 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -47.07 -45.14 21.61 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.284 -0.885 . . . . 0.0 109.66 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.419 ' HA ' ' SD ' ' A' ' 63' ' ' MET . . . -57.72 -45.22 86.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.175 -0.953 . . . . 0.0 109.497 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 61' ' ' PHE . 21.8 t80 -55.84 -41.31 74.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.239 -0.913 . . . . 0.0 109.55 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.6 tttm -74.78 -24.43 58.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.235 -0.916 . . . . 0.0 109.459 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.419 ' SD ' ' HA ' ' A' ' 60' ' ' ALA . 19.8 mtp -75.19 -42.86 54.78 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.265 -0.897 . . . . 0.0 109.494 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.69 ' O ' ' CG ' ' A' ' 65' ' ' PHE . . . 133.9 75.27 0.09 OUTLIER Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.69 ' CG ' ' O ' ' A' ' 64' ' ' GLY . 97.3 m-85 -164.23 108.37 0.96 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.235 -1.156 . . . . 0.0 109.527 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 87' ' ' THR . 2.7 mm-40 -58.03 85.11 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.149 -0.969 . . . . 0.0 109.194 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.509 ' N ' ' O ' ' A' ' 65' ' ' PHE . 2.1 p -60.91 140.2 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.27 -0.894 . . . . 0.0 109.967 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 tp -119.84 146.02 46.11 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.318 -0.864 . . . . 0.0 109.256 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.456 ' HG3' ' H ' ' A' ' 70' ' ' ALA . 6.5 tt0 -48.02 158.9 0.21 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.288 -0.883 . . . . 0.0 109.836 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.608 ' HB1' ' H ' ' A' ' 83' ' ' CYS . . . -100.48 169.67 8.92 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.392 -0.817 . . . . 0.0 109.385 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.543 ' O ' ' C ' ' A' ' 72' ' ' GLU . 4.5 tt0 -135.65 109.62 8.2 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.282 -0.886 . . . . 0.0 109.575 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.547 ' CD ' ' O ' ' A' ' 72' ' ' GLU . 1.4 pp20? -35.55 112.32 0.16 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.396 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 O-C-N 121.173 -0.954 . . . . 0.0 109.529 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.0 tttp . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 pp -127.77 168.81 14.61 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.209 -0.932 . . . . 0.0 109.477 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 82' ' ' LEU . 4.9 mp -101.76 137.89 39.46 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.249 -0.907 . . . . 0.0 109.638 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.608 ' H ' ' HB1' ' A' ' 70' ' ' ALA . 0.1 OUTLIER -135.68 99.89 4.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.319 -0.863 . . . . 0.0 109.563 -179.849 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.556 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 2.0 p90 -91.53 159.55 15.87 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.069 -1.02 . . . . 0.0 109.179 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -111.07 168.38 9.54 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.169 -0.957 . . . . 0.0 109.983 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.69 ' HB1' ' HB3' ' A' ' 65' ' ' PHE . . . -142.47 115.18 8.62 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.427 -0.796 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -98.8 153.52 18.7 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.276 -0.89 . . . . 0.0 109.461 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.4 tpt -156.88 103.4 2.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.255 -0.903 . . . . 0.0 109.424 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.35 120.41 15.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.257 -0.902 . . . . 0.0 109.281 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 91' ' ' ALA . 1.0 OUTLIER -155.2 155.02 33.15 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.186 -0.946 . . . . 0.0 109.603 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 90' ' ' SER . . . -53.32 -173.36 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.193 -0.942 . . . . 0.0 109.382 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 39' ' ' TYR . 4.1 tp -113.02 110.13 19.98 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.284 -0.885 . . . . 0.0 109.53 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -159.36 122.94 3.74 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.236 -0.915 . . . . 0.0 109.463 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.8 -45.15 67.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.314 -0.866 . . . . 0.0 109.385 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.594 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.8 OUTLIER -57.06 -67.77 0.29 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.223 -0.923 . . . . 0.0 109.455 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.465 HD22 ' HA ' ' A' ' 96' ' ' LEU . 0.2 OUTLIER -41.76 -50.36 4.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.206 -0.934 . . . . 0.0 109.374 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 45.6 mt -62.92 -20.58 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.333 -0.855 . . . . 0.0 109.545 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.594 ' N ' ' O ' ' A' ' 95' ' ' LYS . 33.0 t0 -72.92 -39.6 66.15 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.187 -0.946 . . . . 0.0 109.378 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.63 -45.76 28.7 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.256 -0.902 . . . . 0.0 109.266 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -54.25 -50.31 67.51 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.245 -0.909 . . . . 0.0 109.225 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.481 ' O ' ' C ' ' A' ' 102' ' ' GLU . 70.9 t -61.87 -58.82 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.322 -0.862 . . . . 0.0 109.121 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.587 ' OE2' ' ND2' ' A' ' 106' ' ' ASN . 1.5 tm-20 -41.06 -41.52 1.73 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.258 -0.901 . . . . 0.0 109.098 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -62.06 -43.32 99.09 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.276 -0.89 . . . . 0.0 109.262 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.456 ' HA ' HD23 ' A' ' 104' ' ' LEU . 21.9 mt -64.16 -63.78 1.06 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.304 -0.872 . . . . 0.0 109.278 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.2 t -44.74 -36.85 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.31 -0.869 . . . . 0.0 109.501 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.587 ' ND2' ' OE2' ' A' ' 102' ' ' GLU . 11.3 m-80 -63.34 -51.15 67.14 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.247 -0.908 . . . . 0.0 109.461 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 110' ' ' LYS . 15.7 tp -66.14 -53.31 39.34 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.257 -0.902 . . . . 0.0 109.406 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 107' ' ' LEU . . . -44.98 -44.08 9.58 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.298 -0.876 . . . . 0.0 109.576 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -79.01 -16.86 56.31 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.301 -0.875 . . . . 0.0 109.562 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 107' ' ' LEU . 2.6 tmtm? -75.25 -26.79 59.14 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.293 -0.879 . . . . 0.0 109.768 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 55' ' ' LYS . 5.5 m-85 -100.44 -77.41 0.53 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.1 -1.0 . . . . 0.0 109.776 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.473 ' CG ' ' O ' ' A' ' 111' ' ' PHE . 0.9 OUTLIER 167.23 34.13 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.971 -1.08 . . . . 0.0 109.921 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.7 pt -118.28 167.92 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.052 -1.03 . . . . 0.0 109.519 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -112.78 101.14 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.321 -0.862 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.594 ' C ' ' CD1' ' A' ' 115' ' ' TYR . 0.2 OUTLIER -91.72 113.53 25.82 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.347 -0.846 . . . . 0.0 109.486 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.576 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 12.2 p-10 -160.84 80.03 0.63 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.233 -0.917 . . . . 0.0 109.424 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 170.87 84.61 0.06 OUTLIER Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.47 ' HB2' ' ND1' ' A' ' 43' ' ' HIS . 8.8 p-90 -120.0 151.02 39.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.242 -1.152 . . . . 0.0 109.549 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -164.26 159.86 32.78 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.536 ' OG1' ' O ' ' A' ' 40' ' ' GLU . 2.3 t -133.47 167.33 20.63 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.128 -1.219 . . . . 0.0 109.586 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.524 ' CD1' ' N ' ' A' ' 121' ' ' TYR . 10.4 m-85 . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.241 -0.912 . . . . 0.0 109.432 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 121.264 0.554 . . . . 0.0 109.708 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.51 ' O ' ' C ' ' A' ' 13' ' ' LEU . 2.7 mm-40 -74.83 -65.76 0.83 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.16 -0.963 . . . . 0.0 109.511 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.51 ' C ' ' O ' ' A' ' 12' ' ' GLU . 1.4 mt -37.25 -37.46 0.18 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.269 -0.894 . . . . 0.0 109.712 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.0 mt -68.9 -55.49 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.151 -0.968 . . . . 0.0 109.58 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.43 -53.87 39.62 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.24 -0.913 . . . . 0.0 109.492 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 67.3 mt -48.61 -58.91 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.25 -0.906 . . . . 0.0 109.788 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.457 ' O ' ' C ' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -51.14 -53.37 35.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.321 -0.862 . . . . 0.0 109.707 -179.614 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 17' ' ' GLN . 14.3 mtmt -40.66 -50.02 3.04 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.207 -0.933 . . . . 0.0 109.982 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -72.46 -49.98 29.45 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.224 -0.922 . . . . 0.0 110.006 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -49.75 -60.09 3.21 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.167 -0.958 . . . . 0.0 109.891 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.535 ' O ' ' N ' ' A' ' 24' ' ' ILE . 5.5 m -53.0 -60.43 3.29 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.233 -0.917 . . . . 0.0 109.656 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.532 ' C ' ' O ' ' A' ' 21' ' ' THR . 6.6 mmm180 -35.89 -45.99 0.44 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.154 -0.966 . . . . 0.0 109.528 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -61.49 -42.48 98.85 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.253 -0.904 . . . . 0.0 109.383 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.535 ' N ' ' O ' ' A' ' 21' ' ' THR . 27.8 mt -66.39 -66.92 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.293 -0.879 . . . . 0.0 109.566 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.52 HG12 HG22 ' A' ' 21' ' ' THR . 12.2 mm -44.09 -33.3 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.152 -0.968 . . . . 0.0 109.488 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 14.6 mm-40 -69.19 -61.25 1.87 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.276 -0.89 . . . . 0.0 109.394 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.71 -49.61 19.2 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.282 -0.886 . . . . 0.0 109.447 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.523 ' O ' ' C ' ' A' ' 29' ' ' LEU . 5.0 mp -59.05 -70.82 0.14 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.23 -0.919 . . . . 0.0 109.442 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.523 ' C ' ' O ' ' A' ' 28' ' ' LEU . 15.1 mt -36.53 -53.35 0.87 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.256 -0.903 . . . . 0.0 109.523 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -53.35 -41.3 65.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.276 -0.89 . . . . 0.0 109.635 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 28' ' ' LEU . 2.1 t0 -56.56 -27.98 59.04 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.208 -0.932 . . . . 0.0 109.508 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.36 -1.8 16.26 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.484 ' HG ' ' HH ' ' A' ' 39' ' ' TYR . 2.8 t -72.98 114.44 11.13 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.307 -1.114 . . . . 0.0 109.42 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.82 153.21 39.48 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.199 -0.938 . . . . 0.0 109.418 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.479 ' HB3' ' H ' ' A' ' 92' ' ' LEU . 19.6 Cg_endo -61.59 -21.07 71.12 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.837 2.358 . . . . 0.0 112.213 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -57.08 -5.22 0.24 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.307 -0.871 . . . . 0.0 109.461 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.487 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -109.7 14.92 23.13 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.282 -0.886 . . . . 0.0 109.345 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.487 ' O ' ' O ' ' A' ' 37' ' ' ALA . 3.1 mt 55.9 160.43 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.288 -0.882 . . . . 0.0 109.729 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.484 ' HH ' ' HG ' ' A' ' 33' ' ' SER . 1.4 m-85 -154.64 147.26 24.2 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.327 -0.858 . . . . 0.0 109.202 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -108.73 143.9 37.24 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.188 -0.945 . . . . 0.0 109.72 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 42' ' ' GLU . 4.6 mp -126.15 160.42 33.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.338 -0.851 . . . . 0.0 109.282 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.504 ' N ' HG22 ' A' ' 41' ' ' ILE . 85.9 tt0 -142.68 136.58 29.18 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.127 -0.983 . . . . 0.0 109.698 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -115.62 150.73 36.22 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.288 -0.883 . . . . 0.0 109.329 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -119.0 120.23 36.62 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.259 -0.901 . . . . 0.0 109.322 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.484 ' HB2' ' CE2' ' A' ' 84' ' ' PHE . 1.5 mp -128.3 140.38 51.91 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.2 -0.938 . . . . 0.0 109.629 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.578 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -130.88 155.15 47.23 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.275 -0.891 . . . . 0.0 109.503 179.805 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.537 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -135.42 179.14 6.51 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.324 -0.86 . . . . 0.0 109.475 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -121.21 -15.89 8.07 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.227 -0.92 . . . . 0.0 109.561 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.545 ' O ' ' C ' ' A' ' 50' ' ' PHE . 7.9 t0 -113.63 103.86 11.66 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.21 -0.931 . . . . 0.0 109.484 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.545 ' C ' ' O ' ' A' ' 49' ' ' ASP . 0.3 OUTLIER -35.07 -44.8 0.25 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.243 -0.911 . . . . 0.0 109.655 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.05 -52.92 62.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.236 -0.915 . . . . 0.0 109.694 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.47 ' NZ ' ' OD2' ' A' ' 112' ' ' ASP . 0.6 OUTLIER -64.44 -16.8 63.05 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.28 -0.888 . . . . 0.0 109.601 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.537 HD12 ' HB3' ' A' ' 47' ' ' ALA . 4.0 tt -80.02 -59.97 2.52 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.231 -0.918 . . . . 0.0 109.568 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -60.6 -18.97 56.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.202 -0.936 . . . . 0.0 109.547 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -80.75 -49.94 10.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.172 -0.955 . . . . 0.0 109.469 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.43 -31.99 70.68 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.172 -0.955 . . . . 0.0 109.255 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.92 -58.35 5.16 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.346 -0.847 . . . . 0.0 109.343 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.1 t -49.48 -55.04 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.317 -0.864 . . . . 0.0 109.174 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -46.89 -44.66 19.88 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.328 -0.857 . . . . 0.0 109.228 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.1 -34.86 72.5 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.31 -0.869 . . . . 0.0 109.304 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.76 -40.21 76.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.314 -0.866 . . . . 0.0 109.242 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -58.82 -35.92 73.67 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.24 -0.913 . . . . 0.0 109.489 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.59 -59.48 3.91 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.244 -0.91 . . . . 0.0 109.573 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 159.35 11.57 0.04 OUTLIER Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.473 ' CE2' HD11 ' A' ' 104' ' ' LEU . 70.0 m-85 -92.14 137.42 32.38 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.261 -1.141 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.04 84.11 7.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.211 -0.931 . . . . 0.0 109.343 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.4 p -51.62 150.05 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.349 -0.844 . . . . 0.0 109.64 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.636 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.6 OUTLIER -128.12 141.33 51.52 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.337 -0.852 . . . . 0.0 109.212 179.724 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 68' ' ' LEU . 2.1 tt0 -40.43 144.5 0.23 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.308 -0.87 . . . . 0.0 109.858 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.72 179.95 5.08 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.411 -0.806 . . . . 0.0 109.308 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 73' ' ' THR . 20.4 tt0 -152.56 117.62 5.17 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.269 -0.895 . . . . 0.0 109.499 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 71' ' ' GLU . 2.9 mt-10 -44.3 100.17 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.232 -0.918 . . . . 0.0 109.419 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 71' ' ' GLU . 11.1 t . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.248 -0.907 . . . . 0.0 109.344 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.529 ' H ' HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -101.4 166.53 10.69 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.22 -0.925 . . . . 0.0 109.675 -179.868 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.511 ' N ' HD12 ' A' ' 82' ' ' LEU . 6.9 mp -105.26 127.76 53.1 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.245 -0.909 . . . . 0.0 109.227 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 9.9 t -126.33 113.2 16.61 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.313 -0.867 . . . . 0.0 110.012 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.658 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.3 OUTLIER -96.63 154.42 17.29 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.244 -0.91 . . . . 0.0 108.779 179.31 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.636 ' O ' ' N ' ' A' ' 68' ' ' LEU . 1.2 m-20 -108.52 149.25 29.09 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.125 -0.984 . . . . 0.0 110.152 -179.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.463 ' HB1' ' HB3' ' A' ' 65' ' ' PHE . . . -130.8 129.24 42.15 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.475 -0.766 . . . . 0.0 109.008 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.29 155.67 21.76 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.107 -0.996 . . . . 0.0 109.985 -179.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.499 ' SD ' ' NE2' ' A' ' 100' ' ' GLN . 6.0 ttm -151.57 120.5 6.63 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.509 -0.745 . . . . 0.0 109.155 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.97 127.48 39.78 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.283 -0.886 . . . . 0.0 109.546 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.472 ' OG ' ' N ' ' A' ' 91' ' ' ALA . 1.8 t -164.41 177.42 8.22 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.283 -0.886 . . . . 0.0 109.357 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.472 ' N ' ' OG ' ' A' ' 90' ' ' SER . . . -72.01 176.15 5.31 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.224 -0.923 . . . . 0.0 109.565 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.479 ' H ' ' HB3' ' A' ' 35' ' ' PRO . 6.5 tp -95.65 103.47 15.35 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.242 -0.911 . . . . 0.0 109.504 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -148.21 138.47 22.69 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.201 -0.937 . . . . 0.0 109.461 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.69 -45.7 18.49 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.24 -0.913 . . . . 0.0 109.846 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -50.98 -51.38 53.34 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.141 -0.974 . . . . 0.0 109.558 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 tp -63.06 -52.41 62.87 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.199 -0.938 . . . . 0.0 109.456 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 43.7 mt -51.97 -29.61 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.269 -0.894 . . . . 0.0 109.467 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -69.79 -44.92 69.08 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.188 -0.945 . . . . 0.0 109.355 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -69.24 -40.33 77.96 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.197 -0.939 . . . . 0.0 109.255 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.499 ' NE2' ' SD ' ' A' ' 88' ' ' MET . 13.0 mm100 -61.59 -52.26 65.12 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.33 -0.857 . . . . 0.0 109.281 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.421 ' O ' HG23 ' A' ' 105' ' ' VAL . 47.6 t -59.42 -49.25 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.301 -0.874 . . . . 0.0 109.231 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -57.45 -25.32 59.5 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.308 -0.87 . . . . 0.0 109.081 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.97 -52.3 17.8 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.361 -0.837 . . . . 0.0 109.308 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.473 HD11 ' CE2' ' A' ' 65' ' ' PHE . 28.5 mt -66.65 -29.84 69.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.307 -0.871 . . . . 0.0 109.457 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.509 HG22 ' CD2' ' A' ' 115' ' ' TYR . 54.7 t -64.86 -52.99 47.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.239 -0.913 . . . . 0.0 109.533 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -59.27 -40.56 86.46 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.174 -0.954 . . . . 0.0 109.539 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.67 -39.77 88.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.213 -0.93 . . . . 0.0 109.471 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.91 -63.52 1.27 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.261 -0.899 . . . . 0.0 109.432 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -59.27 -30.77 68.54 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.272 -0.892 . . . . 0.0 109.345 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -59.99 -33.22 71.68 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.23 -0.919 . . . . 0.0 109.528 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.489 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 10.2 m-85 -93.86 -76.84 0.47 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.222 -0.924 . . . . 0.0 109.594 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.5 OUTLIER 165.39 37.71 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.184 -0.948 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.8 pt -123.43 -179.9 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.331 -0.855 . . . . 0.0 109.521 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.795 HD12 ' N ' ' A' ' 115' ' ' TYR . 0.1 OUTLIER -123.09 120.78 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.295 -0.878 . . . . 0.0 109.556 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.795 ' N ' HD12 ' A' ' 114' ' ' ILE . 4.4 t80 -101.08 109.55 21.46 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.288 -0.882 . . . . 0.0 109.334 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -160.58 86.65 0.73 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.255 -0.903 . . . . 0.0 109.545 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 160.69 79.51 0.03 OUTLIER Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.491 ' CZ2' HG23 ' A' ' 21' ' ' THR . 5.6 p-90 -123.67 158.51 31.41 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.272 -1.134 . . . . 0.0 109.581 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.469 ' N ' ' CE3' ' A' ' 118' ' ' TRP . . . -176.25 177.55 47.79 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.04 157.99 43.95 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.114 -1.227 . . . . 0.0 109.541 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 . . . . . 0 N--CA 1.49 1.574 0 O-C-N 121.235 -0.916 . . . . 0.0 109.566 179.923 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.319 0.58 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -67.19 -46.97 72.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.227 -0.921 . . . . 0.0 109.641 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 mt -65.0 -23.98 67.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.288 -0.882 . . . . 0.0 109.813 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.8 mt -72.45 -46.73 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.18 -0.95 . . . . 0.0 109.659 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -62.32 -54.32 42.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.114 -0.991 . . . . 0.0 109.463 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.528 ' O ' ' C ' ' A' ' 17' ' ' GLN . 36.6 mt -59.69 -62.21 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.52 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.656 ' HG2' HG11 ' A' ' 101' ' ' VAL . 5.4 tp60 -35.86 -47.79 0.53 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.268 -0.895 . . . . 0.0 109.324 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.604 ' NZ ' ' OD2' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -53.32 -57.75 9.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.304 -0.873 . . . . 0.0 109.181 179.702 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -48.82 -43.37 38.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.267 -0.896 . . . . 0.0 109.139 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -59.06 -53.31 59.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.257 -0.902 . . . . 0.0 109.343 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -55.56 -63.08 1.28 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.301 -0.874 . . . . 0.0 109.725 -179.866 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' THR . 15.9 mtm180 -42.89 -38.65 2.26 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.249 -0.907 . . . . 0.0 109.772 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -60.84 -49.34 77.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.236 -0.915 . . . . 0.0 109.797 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' A' ' 25' ' ' ILE . 41.9 mt -65.76 -59.64 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.233 -0.917 . . . . 0.0 109.736 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 24' ' ' ILE . 11.0 mm -43.63 -29.07 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.199 -0.938 . . . . 0.0 109.685 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -77.71 -52.27 9.23 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.188 -0.945 . . . . 0.0 109.587 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.47 -33.14 72.15 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.266 -0.896 . . . . 0.0 109.445 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 28' ' ' LEU . 9.9 mt -68.66 -45.28 72.17 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.264 -0.897 . . . . 0.0 109.496 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.43 ' HA ' HD22 ' A' ' 29' ' ' LEU . 1.6 mm? -67.95 -53.21 27.97 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.215 -0.928 . . . . 0.0 109.321 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -48.33 -44.35 34.06 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.307 -0.87 . . . . 0.0 109.391 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.17 -34.98 59.22 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.27 -0.894 . . . . 0.0 109.454 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.34 21.25 7.01 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.386 -1.486 . . . . 0.0 109.386 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 95.0 p -48.66 167.42 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.346 -1.091 . . . . 0.0 109.658 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.74 77.14 74.45 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.331 -0.856 . . . . 0.0 109.323 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -53.74 -22.39 22.95 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.901 2.401 . . . . 0.0 112.278 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -49.86 -16.8 0.29 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.237 -0.914 . . . . 0.0 109.641 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -91.21 -102.72 0.1 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.168 -0.957 . . . . 0.0 109.52 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.7 tp -155.72 162.65 40.51 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.312 -0.867 . . . . 0.0 109.384 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -141.32 138.31 33.04 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.243 -0.91 . . . . 0.0 109.579 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.739 ' C ' HD12 ' A' ' 41' ' ' ILE . 4.8 pt-20 -108.82 142.41 39.44 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.311 -0.868 . . . . 0.0 109.522 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.809 HD12 ' N ' ' A' ' 41' ' ' ILE . 3.4 mp -125.49 156.77 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.375 -0.828 . . . . 0.0 109.203 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.417 ' N ' HG22 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -140.11 135.05 32.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.101 -0.999 . . . . 0.0 109.654 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -119.93 135.29 54.96 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.345 -0.847 . . . . 0.0 109.11 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -105.55 137.28 43.65 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.23 -0.919 . . . . 0.0 109.804 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.589 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 2.6 mp -141.66 126.96 18.64 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.413 -0.804 . . . . 0.0 109.2 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.794 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -108.63 159.69 16.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.209 -0.932 . . . . 0.0 109.504 -179.842 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.409 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -136.97 165.6 25.6 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.275 -0.891 . . . . 0.0 109.588 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -105.12 -23.34 12.94 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.199 -0.938 . . . . 0.0 109.33 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.673 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -114.94 116.47 28.56 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.297 -0.877 . . . . 0.0 109.276 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.439 ' C ' ' O ' ' A' ' 49' ' ' ASP . 2.1 p90 -43.68 -38.29 3.04 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.174 -0.954 . . . . 0.0 109.368 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -62.81 -72.51 0.13 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.228 -0.92 . . . . 0.0 109.267 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.507 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -37.21 -33.57 0.06 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.296 -0.877 . . . . 0.0 109.352 179.827 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 51' ' ' ASP . 4.6 tt -64.66 -42.22 95.55 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.32 -0.863 . . . . 0.0 109.407 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 51' ' ' ASP . 6.8 tt0 -69.37 -25.9 64.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.306 -0.871 . . . . 0.0 109.822 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.07 -63.74 1.35 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.165 -0.96 . . . . 0.0 109.965 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.05 -29.2 43.07 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.214 -0.929 . . . . 0.0 109.79 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.96 -46.09 46.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.185 -0.947 . . . . 0.0 109.697 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.4 t -59.5 -28.7 40.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.247 -0.908 . . . . 0.0 109.634 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -72.55 -54.75 8.3 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.248 -0.908 . . . . 0.0 109.688 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.26 -42.98 70.56 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.233 -0.917 . . . . 0.0 109.624 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -61.07 -40.63 94.42 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.183 -0.948 . . . . 0.0 109.554 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -63.91 -26.24 68.51 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.196 -0.94 . . . . 0.0 109.51 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 13.7 mtm -78.38 -29.63 47.45 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.2 -0.938 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.26 -16.22 4.15 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.482 ' HB3' ' HB1' ' A' ' 86' ' ' ALA . 82.4 m-85 -60.72 133.76 56.42 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.289 -1.124 . . . . 0.0 109.433 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.32 80.3 9.2 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.211 -0.931 . . . . 0.0 109.216 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 p -54.38 133.22 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.276 -0.89 . . . . 0.0 109.561 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.64 HD23 ' N ' ' A' ' 69' ' ' GLU . 1.1 tt -114.0 138.42 50.39 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.273 -0.892 . . . . 0.0 109.286 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.64 ' N ' HD23 ' A' ' 68' ' ' LEU . 3.6 mp0 -38.45 162.17 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.214 -0.928 . . . . 0.0 109.586 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.63 179.11 4.37 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.267 -0.895 . . . . 0.0 109.645 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.552 ' O ' ' C ' ' A' ' 72' ' ' GLU . 16.1 tt0 -147.55 103.5 3.54 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.364 -0.835 . . . . 0.0 109.236 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.552 ' C ' ' O ' ' A' ' 71' ' ' GLU . 58.1 mt-10 -33.75 110.6 0.09 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.385 -0.822 . . . . 0.0 109.736 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.262 -0.899 . . . . 0.0 109.434 -179.952 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.03 158.94 43.29 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.262 -0.899 . . . . 0.0 109.52 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.517 ' N ' HD12 ' A' ' 82' ' ' LEU . 6.7 mp -88.58 127.59 35.56 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.322 -0.861 . . . . 0.0 109.125 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.524 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 28.5 p -124.54 106.01 9.82 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.268 -0.895 . . . . 0.0 109.899 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.589 ' CE1' ' O ' ' A' ' 45' ' ' LEU . 13.2 p90 -97.42 156.48 16.45 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.116 -0.99 . . . . 0.0 108.827 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.582 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -126.64 168.01 14.91 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.033 -1.042 . . . . 0.0 110.049 -179.485 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.482 ' HB1' ' HB3' ' A' ' 65' ' ' PHE . . . -142.05 152.22 43.15 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.436 -0.79 . . . . 0.0 109.063 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.2 p -130.84 156.96 44.13 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.189 -0.944 . . . . 0.0 109.706 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 15.2 ttm -153.56 116.8 4.59 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.321 -0.862 . . . . 0.0 109.549 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.686 ' N ' ' NE2' ' A' ' 89' ' ' GLN . 0.6 OUTLIER -85.74 133.19 34.01 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.203 -0.936 . . . . 0.0 109.272 179.744 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.7 p -166.16 -172.5 2.29 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.211 -0.931 . . . . 0.0 109.543 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.503 ' O ' ' C ' ' A' ' 92' ' ' LEU . . . -93.33 120.42 33.59 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.353 -0.842 . . . . 0.0 109.542 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.521 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 29.3 tp -37.68 134.2 0.72 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.22 -0.925 . . . . 0.0 109.498 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.521 ' CG ' ' O ' ' A' ' 92' ' ' LEU . 4.7 m-20 -178.67 113.18 0.06 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.219 -0.926 . . . . 0.0 109.367 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -46.42 -69.06 0.14 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.245 -0.91 . . . . 0.0 109.625 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' A' ' 94' ' ' ALA . 9.0 mtmt -39.88 -48.15 2.26 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.258 -0.901 . . . . 0.0 109.916 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.454 HD23 HE21 ' A' ' 100' ' ' GLN . 1.1 tt -58.89 -54.88 42.12 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.118 -0.989 . . . . 0.0 109.729 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 33.4 mt -57.8 -30.21 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.16 -0.962 . . . . 0.0 109.622 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.604 ' OD2' ' NZ ' ' A' ' 18' ' ' LYS . 1.8 m-20 -63.2 -41.61 99.2 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.215 -0.928 . . . . 0.0 109.384 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -65.15 -40.82 94.9 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.298 -0.876 . . . . 0.0 109.232 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.454 HE21 HD23 ' A' ' 96' ' ' LEU . 45.6 mm-40 -64.29 -49.11 73.1 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.266 -0.896 . . . . 0.0 109.611 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.681 ' O ' HG23 ' A' ' 105' ' ' VAL . 59.6 t -65.87 -60.62 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.203 -0.935 . . . . 0.0 109.525 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 106' ' ' ASN . 35.0 tt0 -45.48 -31.82 1.92 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.203 -0.936 . . . . 0.0 109.497 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -72.7 -61.04 1.95 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.193 -0.942 . . . . 0.0 109.486 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.54 ' O ' ' HB2' ' A' ' 108' ' ' ALA . 14.6 mt -56.63 -15.61 4.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.204 -0.935 . . . . 0.0 109.445 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 101' ' ' VAL . 92.3 t -83.9 -68.39 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.361 -0.837 . . . . 0.0 109.486 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.555 ' ND2' ' H ' ' A' ' 106' ' ' ASN . 0.3 OUTLIER -50.76 -37.78 44.08 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.28 -0.888 . . . . 0.0 109.466 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.4 tt -72.45 -39.82 67.5 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.254 -0.904 . . . . 0.0 109.468 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 104' ' ' LEU . . . -53.29 -54.61 33.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.24 -0.913 . . . . 0.0 109.601 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -70.75 -34.14 71.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.282 -0.886 . . . . 0.0 109.45 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -58.89 -22.33 59.23 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.217 -0.927 . . . . 0.0 109.2 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.503 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 7.4 m-85 -100.59 -76.73 0.55 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.281 -0.887 . . . . 0.0 109.044 179.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.6 OUTLIER 163.75 33.89 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.381 -0.824 . . . . 0.0 109.542 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 8.8 pt -120.06 178.47 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.158 -0.964 . . . . 0.0 109.552 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.537 HG23 ' CD2' ' A' ' 46' ' ' PHE . 0.9 OUTLIER -120.37 110.62 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.262 -0.898 . . . . 0.0 109.517 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.484 ' OH ' HG13 ' A' ' 101' ' ' VAL . 5.1 t80 -87.38 125.89 34.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.251 -0.906 . . . . 0.0 109.419 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -176.9 81.59 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.205 -0.934 . . . . 0.0 109.358 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 160.11 80.99 0.04 OUTLIER Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 3.6 p-90 -122.65 147.0 46.95 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.208 -1.172 . . . . 0.0 109.43 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -162.41 172.37 38.49 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -137.49 177.01 8.19 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.224 -1.163 . . . . 0.0 109.384 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.46 ' N ' ' OG1' ' A' ' 120' ' ' THR . 6.9 t80 . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.351 -0.843 . . . . 0.0 109.561 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.534 ' CD ' ' OE2' ' A' ' 12' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 121.24 0.543 . . . . 0.0 109.646 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.534 ' OE2' ' CD ' ' A' ' 11' ' ' GLU . 23.4 mm-40 -66.4 -48.18 70.92 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.185 -0.947 . . . . 0.0 109.493 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.4 mt -56.67 -33.91 66.86 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.217 -0.927 . . . . 0.0 109.494 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.7 mt -65.72 -51.26 64.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.305 -0.872 . . . . 0.0 109.501 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -63.03 1.27 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.224 -0.923 . . . . 0.0 109.401 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.414 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.4 mp -53.86 -45.64 63.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.296 -0.878 . . . . 0.0 109.477 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.477 ' OE1' ' OG1' ' A' ' 21' ' ' THR . 5.1 tp-100 -58.91 -18.84 36.95 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.367 -0.833 . . . . 0.0 109.662 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -83.57 -60.38 2.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.202 -0.936 . . . . 0.0 109.683 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -48.8 -36.21 16.18 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.076 -1.015 . . . . 0.0 109.293 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -70.07 -51.69 29.9 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.322 -0.861 . . . . 0.0 109.509 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.477 ' OG1' ' OE1' ' A' ' 17' ' ' GLN . 9.1 m -55.3 -31.83 61.94 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.269 -0.895 . . . . 0.0 109.593 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -67.55 -48.15 67.77 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.074 -1.017 . . . . 0.0 109.562 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.22 -49.53 76.77 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.233 -0.917 . . . . 0.0 109.794 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.6 mt -58.53 -57.69 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.194 -0.942 . . . . 0.0 109.719 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 26' ' ' GLN . 1.1 mp -45.99 -59.18 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.284 -0.885 . . . . 0.0 109.53 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.465 ' N ' HG22 ' A' ' 25' ' ' ILE . 14.2 mm100 -47.25 -40.33 16.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.196 -0.94 . . . . 0.0 109.652 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.508 ' O ' ' C ' ' A' ' 28' ' ' LEU . . . -68.41 -66.28 0.59 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.219 -0.925 . . . . 0.0 109.632 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.508 ' C ' ' O ' ' A' ' 27' ' ' ALA . 79.9 mt -38.02 -39.62 0.41 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.211 -0.931 . . . . 0.0 109.58 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.608 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -66.05 -63.31 1.11 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.227 -0.92 . . . . 0.0 109.491 -179.86 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.509 ' O ' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -42.33 -30.85 0.35 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.172 -0.955 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -70.26 -18.14 63.13 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.258 -0.901 . . . . 0.0 109.287 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.608 ' N ' ' O ' ' A' ' 29' ' ' LEU . . . 85.87 33.87 14.51 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.2 p -60.97 -25.37 66.8 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.301 -1.117 . . . . 0.0 109.49 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.548 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER 57.85 88.4 0.12 Allowed Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.289 -0.882 . . . . 0.0 109.617 179.852 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -59.23 -1.33 0.87 Allowed 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.785 2.323 . . . . 0.0 111.971 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.71 -28.94 69.43 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.313 -0.867 . . . . 0.0 109.605 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.438 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -85.44 23.95 1.26 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.227 -0.921 . . . . 0.0 109.183 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.438 ' O ' ' O ' ' A' ' 37' ' ' ALA . 10.3 mt 56.99 164.17 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.278 -0.889 . . . . 0.0 109.164 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.555 ' CZ ' HD13 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -129.6 154.92 46.61 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.255 -0.903 . . . . 0.0 109.53 -179.845 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -106.2 122.63 46.61 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.304 -0.872 . . . . 0.0 109.484 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mm -99.5 143.1 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.193 -0.942 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -133.18 139.46 47.05 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.267 -0.896 . . . . 0.0 109.691 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -131.83 159.28 38.99 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.322 -0.862 . . . . 0.0 109.239 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.671 ' NE2' ' OD2' ' A' ' 85' ' ' ASP . 0.1 OUTLIER -134.72 122.01 21.57 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.198 -0.939 . . . . 0.0 109.689 -179.842 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.506 ' N ' HD12 ' A' ' 45' ' ' LEU . 5.2 mp -128.07 151.09 49.6 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.272 -0.893 . . . . 0.0 109.301 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.586 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -132.26 161.11 34.27 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.164 -0.96 . . . . 0.0 109.806 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.546 ' HB2' HG22 ' A' ' 113' ' ' ILE . . . -148.02 164.3 34.23 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.458 -0.776 . . . . 0.0 109.411 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -111.63 -1.73 15.64 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.271 -0.893 . . . . 0.0 109.461 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -117.64 124.75 49.35 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.25 -0.906 . . . . 0.0 109.712 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -64.21 -27.42 69.05 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.151 -0.968 . . . . 0.0 109.278 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.7 -55.17 6.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.261 -0.9 . . . . 0.0 109.365 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.0 -31.19 72.27 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.267 -0.895 . . . . 0.0 109.368 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.608 ' O ' HD23 ' A' ' 53' ' ' LEU . 5.5 tt -64.84 -42.64 94.75 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.285 -0.884 . . . . 0.0 109.566 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -74.34 -21.29 59.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.23 -0.919 . . . . 0.0 109.856 -179.822 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -82.32 -59.69 2.46 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.09 -1.006 . . . . 0.0 109.56 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.17 -34.64 68.66 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.203 -0.936 . . . . 0.0 109.796 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.01 -47.96 40.49 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.251 -0.906 . . . . 0.0 109.743 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 54' ' ' GLU . 6.5 t -54.33 -44.96 68.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.2 -0.937 . . . . 0.0 109.845 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -68.21 -39.62 82.34 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.108 -0.995 . . . . 0.0 109.737 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.99 -47.04 61.54 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.223 -0.923 . . . . 0.0 109.69 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.533 ' O ' ' C ' ' A' ' 62' ' ' LYS . 15.5 t80 -68.14 -59.89 2.89 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.221 -0.925 . . . . 0.0 109.671 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.533 ' C ' ' O ' ' A' ' 61' ' ' PHE . 9.1 tttm -36.76 -34.77 0.08 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.178 -0.951 . . . . 0.0 109.532 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.478 ' N ' ' O ' ' A' ' 61' ' ' PHE . 8.8 mtm -70.11 -55.75 8.65 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.189 -0.944 . . . . 0.0 109.504 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 161.49 -24.32 0.24 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.401 ' CZ ' ' NE2' ' A' ' 100' ' ' GLN . 78.1 m-85 -60.03 122.15 13.63 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.271 -1.135 . . . . 0.0 109.325 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.75 86.4 0.67 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.197 -0.939 . . . . 0.0 109.186 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -59.65 145.91 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.307 -0.871 . . . . 0.0 109.741 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.629 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -124.37 135.67 53.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.271 -0.893 . . . . 0.0 109.332 179.865 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 68' ' ' LEU . 1.1 mm-40 -41.46 153.79 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.279 -0.888 . . . . 0.0 109.684 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.425 ' HB1' ' N ' ' A' ' 83' ' ' CYS . . . -105.42 159.04 16.23 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.331 -0.855 . . . . 0.0 109.588 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -119.82 179.83 4.13 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.31 -0.868 . . . . 0.0 109.171 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -91.39 117.63 29.84 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.187 -0.946 . . . . 0.0 109.686 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.255 -0.903 . . . . 0.0 109.341 179.93 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.9 tttt . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.236 0.541 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.704 HD12 ' C ' ' A' ' 81' ' ' LEU . 1.9 pp -157.62 172.48 18.46 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.184 -0.948 . . . . 0.0 109.465 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.4 mp -112.33 141.91 45.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.18 -0.95 . . . . 0.0 109.449 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.425 ' N ' ' HB1' ' A' ' 70' ' ' ALA . 26.6 p -134.53 115.95 14.5 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.297 -0.877 . . . . 0.0 109.996 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.69 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -97.08 160.23 14.46 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.26 -0.9 . . . . 0.0 109.035 179.516 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.671 ' OD2' ' NE2' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -114.17 147.06 39.49 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.212 -0.93 . . . . 0.0 109.792 -179.595 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -120.49 140.14 51.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.31 -0.869 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.3 147.84 50.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.2 -0.938 . . . . 0.0 109.651 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.7 tpp -160.68 126.62 3.97 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.356 -0.84 . . . . 0.0 109.193 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.639 ' OE1' ' N ' ' A' ' 89' ' ' GLN . 6.6 mp0 -79.31 123.53 27.55 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.199 -0.938 . . . . 0.0 109.639 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.6 p -140.53 -172.32 3.41 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.386 -0.821 . . . . 0.0 109.298 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -100.71 137.71 38.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.193 -0.942 . . . . 0.0 109.501 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.555 HD13 ' CZ ' ' A' ' 39' ' ' TYR . 2.3 tp -57.82 103.72 0.15 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.148 -0.97 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -164.63 140.18 5.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.193 -0.942 . . . . 0.0 109.416 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.513 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -66.17 -71.69 0.19 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.199 -0.938 . . . . 0.0 109.347 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.513 ' C ' ' O ' ' A' ' 94' ' ' ALA . 23.6 mtpp -35.54 -45.9 0.38 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.285 -0.884 . . . . 0.0 109.518 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -59.03 -54.72 43.88 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.218 -0.926 . . . . 0.0 109.37 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.5 ' O ' HG23 ' A' ' 101' ' ' VAL . 6.9 mt -56.07 -28.62 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.195 -0.94 . . . . 0.0 109.31 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -64.5 -44.0 92.31 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.279 -0.888 . . . . 0.0 109.185 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.8 -51.41 69.46 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.254 -0.904 . . . . 0.0 109.404 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.401 ' NE2' ' CZ ' ' A' ' 65' ' ' PHE . 23.2 mm100 -58.6 -56.94 15.72 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.162 -0.961 . . . . 0.0 109.419 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.541 HG13 ' CE2' ' A' ' 115' ' ' TYR . 87.1 t -53.48 -24.2 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.313 -0.867 . . . . 0.0 109.251 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.01 -46.8 41.28 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.194 -0.941 . . . . 0.0 109.263 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.402 ' HE2' ' SD ' ' A' ' 63' ' ' MET . 15.9 tptt -63.22 -43.65 97.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.299 -0.876 . . . . 0.0 109.564 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.434 ' HA ' HD23 ' A' ' 104' ' ' LEU . 89.1 mt -67.07 -30.36 70.39 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.266 -0.896 . . . . 0.0 109.708 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.0 t -75.96 -50.09 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.164 -0.96 . . . . 0.0 109.625 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.36 -48.97 75.72 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.186 -0.946 . . . . 0.0 109.714 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.3 tp -62.54 -45.88 90.95 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.225 -0.922 . . . . 0.0 109.693 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.37 -60.13 3.84 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.33 -0.856 . . . . 0.0 109.976 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.97 -19.83 65.44 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.261 -0.899 . . . . 0.0 109.993 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.9 tptt -71.87 -29.76 64.7 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.101 -0.999 . . . . 0.0 109.595 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.516 ' O ' ' CG ' ' A' ' 112' ' ' ASP . 27.1 m-85 -97.32 -77.12 0.5 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.184 -0.947 . . . . 0.0 109.646 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.516 ' CG ' ' O ' ' A' ' 111' ' ' PHE . 2.0 m-20 169.56 35.49 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.206 -0.934 . . . . 0.0 109.434 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.546 HG22 ' HB2' ' A' ' 47' ' ' ALA . 7.0 pt -124.33 172.95 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.231 -0.918 . . . . 0.0 109.346 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.6 tt -119.68 145.76 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.196 -0.94 . . . . 0.0 109.604 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.541 ' CE2' HG13 ' A' ' 101' ' ' VAL . 1.2 t80 -111.78 97.6 6.81 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.324 -0.86 . . . . 0.0 109.164 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.75 80.93 1.82 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.233 -0.917 . . . . 0.0 109.542 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 162.19 80.15 0.04 OUTLIER Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.691 ' O ' ' CG ' ' A' ' 118' ' ' TRP . 3.1 p-90 -115.6 115.66 26.8 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.221 -1.164 . . . . 0.0 109.315 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -133.19 158.39 23.14 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.29 166.26 18.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.257 -1.143 . . . . 0.0 109.475 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.229 -0.92 . . . . 0.0 109.439 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -72.18 -56.78 4.98 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.569 -0.707 . . . . 0.0 109.297 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.402 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 5.0 mt -49.73 -48.26 50.19 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.32 -0.863 . . . . 0.0 109.276 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.456 ' O ' ' C ' ' A' ' 15' ' ' GLU . 19.4 mt -51.92 -65.77 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.334 -0.854 . . . . 0.0 109.368 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 14' ' ' ILE . 12.4 mm-40 -41.99 -57.98 2.24 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.347 -0.845 . . . . 0.0 109.298 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.484 ' O ' ' C ' ' A' ' 17' ' ' GLN . 64.1 mt -49.33 -67.49 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.325 -0.859 . . . . 0.0 109.415 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.492 ' O ' ' C ' ' A' ' 18' ' ' LYS . 3.8 mp0 -39.87 -54.62 2.13 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.191 -0.943 . . . . 0.0 109.228 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.492 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -38.54 -58.89 0.98 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.209 -0.932 . . . . 0.0 109.351 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.522 ' O ' ' C ' ' A' ' 20' ' ' GLU . 2.8 mt-10 -56.83 -66.21 0.48 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.244 -0.91 . . . . 0.0 109.513 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.522 ' C ' ' O ' ' A' ' 19' ' ' GLU . 4.0 mm-40 -36.2 -42.93 0.33 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.248 -0.907 . . . . 0.0 109.622 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 22' ' ' ARG . 2.1 m -58.94 -61.45 2.62 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.254 -0.904 . . . . 0.0 109.565 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 21' ' ' THR . 8.2 ttp180 -43.07 -44.87 5.04 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.274 -0.891 . . . . 0.0 109.47 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.66 -48.06 72.8 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.296 -0.877 . . . . 0.0 109.267 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.574 ' O ' ' N ' ' A' ' 26' ' ' GLN . 14.9 mt -70.65 -67.16 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.37 -0.831 . . . . 0.0 109.452 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.502 ' C ' ' O ' ' A' ' 24' ' ' ILE . 17.0 mm -36.78 -29.24 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.266 -0.896 . . . . 0.0 109.519 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.574 ' N ' ' O ' ' A' ' 24' ' ' ILE . 8.5 mm-40 -76.54 -52.71 9.24 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.179 -0.951 . . . . 0.0 109.511 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.67 -49.44 62.35 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.28 -0.888 . . . . 0.0 109.686 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 29' ' ' LEU . 15.2 mt -60.32 -63.17 1.39 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.268 -0.895 . . . . 0.0 109.709 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 28' ' ' LEU . 1.0 OUTLIER -45.23 -55.14 6.13 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.14 -0.975 . . . . 0.0 109.474 -179.784 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -53.09 -31.41 41.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.243 -0.911 . . . . 0.0 109.592 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.28 -23.84 65.72 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.214 -0.929 . . . . 0.0 109.424 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.33 32.67 8.61 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -74.71 126.76 31.56 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.267 -1.137 . . . . 0.0 109.663 -179.844 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.623 ' HB3' ' HB2' ' A' ' 37' ' ' ALA . 0.3 OUTLIER -40.78 102.96 0.28 Allowed Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.262 -0.899 . . . . 0.0 109.673 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -56.19 -9.88 3.9 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.598 2.198 . . . . 0.0 112.475 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -119.34 15.35 13.02 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.043 -1.036 . . . . 0.0 109.97 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.623 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . . . -85.26 4.3 35.47 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.131 -0.981 . . . . 0.0 109.206 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 64.19 143.09 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.369 -0.832 . . . . 0.0 109.475 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -127.62 160.2 32.35 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.263 -0.898 . . . . 0.0 109.428 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -109.81 127.01 54.38 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.208 -0.932 . . . . 0.0 109.551 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mm -101.61 132.13 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.249 -0.907 . . . . 0.0 109.188 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -115.95 124.21 49.99 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.305 -0.872 . . . . 0.0 109.379 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.495 ' CD2' ' N ' ' A' ' 43' ' ' HIS . 6.4 m-70 -114.88 139.15 50.01 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.172 -0.955 . . . . 0.0 109.532 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.533 ' ND1' ' O ' ' A' ' 117' ' ' GLY . 14.8 m80 -103.1 120.07 40.01 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.316 -0.865 . . . . 0.0 109.564 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.453 ' HB2' ' CE2' ' A' ' 84' ' ' PHE . 4.1 mp -127.45 136.05 51.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.266 -0.896 . . . . 0.0 109.031 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.629 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -126.42 167.97 14.84 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.148 -0.97 . . . . 0.0 109.989 -179.571 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.561 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -152.11 177.28 10.67 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.433 -0.792 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -113.82 -28.84 7.28 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.166 -0.959 . . . . 0.0 109.657 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 51' ' ' ASP . 2.6 t70 -117.98 111.18 18.61 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.203 -0.936 . . . . 0.0 109.764 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -47.5 -20.51 0.24 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.291 -0.881 . . . . 0.0 109.188 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 49' ' ' ASP . 15.7 t70 -65.7 -69.91 0.27 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.327 -0.858 . . . . 0.0 109.377 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.08 -26.5 64.69 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.163 -0.96 . . . . 0.0 109.251 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.664 ' C ' HD23 ' A' ' 53' ' ' LEU . 5.2 tt -64.98 -59.81 3.75 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.327 -0.858 . . . . 0.0 109.452 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -50.31 -38.52 42.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.344 -0.847 . . . . 0.0 109.416 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -58.62 -50.31 74.32 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.366 -0.834 . . . . 0.0 109.672 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 57' ' ' ALA . . . -67.08 -64.13 0.92 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.191 -0.943 . . . . 0.0 109.529 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 56' ' ' ALA . . . -41.21 -47.47 3.33 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.301 -0.875 . . . . 0.0 109.674 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.5 t -54.47 -50.32 58.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.203 -0.936 . . . . 0.0 109.626 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.81 -39.0 83.54 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.227 -0.921 . . . . 0.0 109.658 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.43 -58.72 7.37 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.233 -0.917 . . . . 0.0 109.281 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -48.4 -47.26 37.85 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.285 -0.885 . . . . 0.0 109.269 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.473 ' NZ ' ' HB3' ' A' ' 62' ' ' LYS . 1.4 mtpm? -49.27 -60.05 3.15 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.319 -0.863 . . . . 0.0 109.373 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 20.6 mtm -47.41 -60.03 2.8 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.304 -0.873 . . . . 0.0 109.366 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 158.19 32.66 0.02 OUTLIER Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.505 ' CE2' HD21 ' A' ' 104' ' ' LEU . 58.2 m-85 -102.26 148.84 24.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.249 -1.148 . . . . 0.0 109.378 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -98.97 82.06 2.7 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.235 -0.916 . . . . 0.0 109.311 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.5 p -60.2 124.27 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.2 -0.937 . . . . 0.0 109.601 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.649 HD23 ' H ' ' A' ' 69' ' ' GLU . 0.6 OUTLIER -102.95 143.98 31.84 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.291 -0.88 . . . . 0.0 109.188 179.762 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.649 ' H ' HD23 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -40.01 164.03 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.233 -0.917 . . . . 0.0 109.354 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.408 ' HB1' ' N ' ' A' ' 83' ' ' CYS . . . -112.08 175.8 5.28 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.242 -0.911 . . . . 0.0 109.53 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.464 ' OE1' ' C ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -135.27 153.52 51.87 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.29 -0.881 . . . . 0.0 109.398 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.464 ' C ' ' OE1' ' A' ' 71' ' ' GLU . 1.3 mm-40 -75.87 104.59 6.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.312 -0.868 . . . . 0.0 109.366 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.489 1.511 0 O-C-N 121.267 -0.896 . . . . 0.0 109.471 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 15.0 tptt . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 121.224 0.535 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.448 HD12 ' C ' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -119.06 -167.34 1.37 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.16 -0.962 . . . . 0.0 109.293 179.637 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 mp -120.14 141.6 49.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.079 -1.013 . . . . 0.0 109.748 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.461 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER -130.5 101.94 5.94 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.325 -0.859 . . . . 0.0 109.222 179.704 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.484 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 5.6 p90 -91.71 149.92 21.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.128 -0.982 . . . . 0.0 109.466 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.544 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -103.73 156.16 18.02 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.328 -0.857 . . . . 0.0 109.556 -179.822 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -131.53 131.34 43.32 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.264 -0.897 . . . . 0.0 109.369 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.59 143.43 45.62 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.227 -0.921 . . . . 0.0 109.517 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.89 118.42 6.52 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.319 -0.863 . . . . 0.0 109.582 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -71.04 119.62 15.42 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.244 -0.91 . . . . 0.0 109.088 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.46 140.52 31.94 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.061 -1.024 . . . . 0.0 109.818 -179.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.88 142.8 52.89 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.262 -0.899 . . . . 0.0 109.268 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.493 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 1.0 OUTLIER -58.59 109.87 0.88 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.277 -0.889 . . . . 0.0 109.57 -179.85 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.493 ' OD1' ' O ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -170.05 130.36 0.97 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.334 -0.854 . . . . 0.0 109.368 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.65 -50.1 72.55 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.172 -0.955 . . . . 0.0 109.725 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -52.55 -29.32 24.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.233 -0.917 . . . . 0.0 109.608 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 96' ' ' LEU . 0.2 OUTLIER -74.52 -50.62 17.4 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.199 -0.938 . . . . 0.0 109.54 -179.847 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 51.5 mt -64.54 -28.87 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.355 -0.841 . . . . 0.0 109.682 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.69 -50.35 58.08 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.245 -0.909 . . . . 0.0 109.635 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.66 -48.12 82.16 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.214 -0.929 . . . . 0.0 109.62 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.658 ' N ' ' OE1' ' A' ' 100' ' ' GLN . 0.9 OUTLIER -64.38 -41.98 96.41 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.172 -0.955 . . . . 0.0 109.629 -179.875 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 102' ' ' GLU . 2.3 t -58.6 -61.59 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.194 -0.941 . . . . 0.0 109.641 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.492 ' N ' HG12 ' A' ' 101' ' ' VAL . 9.3 mt-10 -45.9 -45.12 15.13 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.247 -0.908 . . . . 0.0 109.755 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -56.0 -55.98 26.24 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.235 -0.916 . . . . 0.0 109.927 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.505 HD21 ' CE2' ' A' ' 65' ' ' PHE . 70.3 mt -61.7 -34.13 75.24 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.292 -0.88 . . . . 0.0 109.964 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.7 t -66.51 -45.22 89.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.177 -0.952 . . . . 0.0 109.725 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.738 HD22 ' N ' ' A' ' 106' ' ' ASN . 0.8 OUTLIER -63.36 -56.11 19.01 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.179 -0.951 . . . . 0.0 109.789 -179.816 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.4 tp -58.46 -47.62 83.44 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.202 -0.936 . . . . 0.0 109.725 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.38 -45.18 35.47 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.205 -0.934 . . . . 0.0 109.576 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.87 -25.43 48.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.168 -0.957 . . . . 0.0 109.569 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -62.91 -31.95 73.12 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.175 -0.953 . . . . 0.0 109.646 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.491 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 4.4 m-85 -99.19 -77.19 0.52 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.149 -0.97 . . . . 0.0 109.594 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.7 OUTLIER 166.48 36.26 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.174 -0.954 . . . . 0.0 109.734 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.428 HG22 ' HB2' ' A' ' 47' ' ' ALA . 24.1 pt -118.3 137.24 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.119 -0.988 . . . . 0.0 109.335 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.544 HD12 ' N ' ' A' ' 115' ' ' TYR . 0.2 OUTLIER -86.45 113.7 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.222 -0.923 . . . . 0.0 109.651 -179.837 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.544 ' N ' HD12 ' A' ' 114' ' ' ILE . 1.0 OUTLIER -99.95 102.65 14.09 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.321 -0.862 . . . . 0.0 109.333 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -152.21 88.26 1.37 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.263 -0.898 . . . . 0.0 109.538 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.533 ' O ' ' ND1' ' A' ' 44' ' ' HIS . . . 162.91 73.86 0.02 OUTLIER Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.525 ' O ' ' CG ' ' A' ' 118' ' ' TRP . 5.9 p-90 -108.69 129.16 55.35 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.188 -1.183 . . . . 0.0 109.532 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -143.71 143.14 11.92 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.8 t -100.18 177.9 4.94 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.216 -1.167 . . . . 0.0 109.621 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 N--CA 1.488 1.468 0 O-C-N 121.331 -0.856 . . . . 0.0 109.291 179.929 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -74.71 -48.19 27.29 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.335 -0.853 . . . . 0.0 109.361 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.465 ' N ' HD23 ' A' ' 13' ' ' LEU . 8.0 mt -61.28 -45.99 92.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.328 -0.857 . . . . 0.0 109.482 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.0 mt -62.05 -54.56 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.155 -0.966 . . . . 0.0 109.52 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -52.17 -55.1 23.19 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.171 -0.956 . . . . 0.0 109.556 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.7 mt -47.52 -37.18 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.265 -0.897 . . . . 0.0 109.751 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.503 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.9 OUTLIER -73.53 -35.8 65.61 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.205 -0.934 . . . . 0.0 109.591 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -59.7 -44.25 93.76 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.253 -0.904 . . . . 0.0 109.606 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -68.44 -55.43 11.9 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.282 -0.886 . . . . 0.0 109.693 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -56.06 -27.83 55.08 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.263 -0.898 . . . . 0.0 109.723 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.503 ' OG1' ' O ' ' A' ' 17' ' ' GLN . 68.8 m -67.91 -53.0 29.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.12 -0.988 . . . . 0.0 109.709 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -58.35 -27.32 64.07 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.222 -0.924 . . . . 0.0 109.482 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.37 -52.19 12.88 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.159 -0.963 . . . . 0.0 109.478 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 84.8 mt -61.86 -55.05 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.246 -0.909 . . . . 0.0 109.437 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.2 mp -54.65 -32.81 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.142 -0.974 . . . . 0.0 109.227 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.562 ' O ' ' NE2' ' A' ' 26' ' ' GLN . 6.9 tp60 -68.71 -57.52 5.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.202 -0.936 . . . . 0.0 109.625 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.08 -51.9 60.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.217 -0.927 . . . . 0.0 109.782 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.99 -48.28 80.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.219 -0.926 . . . . 0.0 109.609 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.485 ' HA ' HD23 ' A' ' 29' ' ' LEU . 12.3 mt -53.55 -45.27 69.79 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.292 -0.88 . . . . 0.0 109.383 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.444 ' CG ' HE22 ' A' ' 26' ' ' GLN . 6.8 mt-10 -68.35 -30.84 69.88 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.253 -0.904 . . . . 0.0 109.476 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -61.25 -36.34 79.73 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.198 -0.939 . . . . 0.0 109.482 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.561 ' O ' ' O ' ' A' ' 33' ' ' SER . . . 123.64 15.8 3.54 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.929 -1.268 . . . . 0.0 109.929 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.561 ' O ' ' O ' ' A' ' 32' ' ' GLY . 1.3 t -48.32 -175.89 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.13 -1.217 . . . . 0.0 109.303 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -142.14 88.88 8.94 Favored Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.156 -0.965 . . . . 0.0 109.504 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -54.32 -17.72 12.74 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.914 2.409 . . . . 0.0 112.291 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.9 12.72 14.49 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.244 -0.91 . . . . 0.0 109.635 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.518 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -120.34 26.88 8.93 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.177 -0.952 . . . . 0.0 109.475 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.518 ' O ' ' O ' ' A' ' 37' ' ' ALA . 27.4 mt 55.45 160.7 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.23 -0.919 . . . . 0.0 109.36 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.67 171.69 13.72 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.271 -0.893 . . . . 0.0 109.428 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.81 ' C ' HD12 ' A' ' 41' ' ' ILE . 3.5 tt0 -122.56 128.98 51.43 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.228 -0.92 . . . . 0.0 109.623 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.81 HD12 ' C ' ' A' ' 40' ' ' GLU . 2.5 mp -122.39 129.32 75.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.322 -0.861 . . . . 0.0 109.23 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -116.02 146.01 42.51 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.22 -0.925 . . . . 0.0 109.488 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.581 ' CD2' ' N ' ' A' ' 43' ' ' HIS . 1.1 m-70 -121.91 154.04 37.65 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.343 -0.848 . . . . 0.0 109.538 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.682 ' C ' HD12 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -120.74 135.62 55.09 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.283 -0.886 . . . . 0.0 109.318 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.792 ' N ' HD12 ' A' ' 45' ' ' LEU . 1.4 mp -144.77 146.34 32.1 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.218 -0.927 . . . . 0.0 109.636 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.647 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -125.38 160.84 28.39 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.313 -0.867 . . . . 0.0 109.753 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.421 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -141.6 -179.46 6.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.376 -0.827 . . . . 0.0 109.545 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.76 -45.65 3.79 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.178 -0.951 . . . . 0.0 110.119 -179.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -100.84 143.91 30.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.076 -1.015 . . . . 0.0 109.976 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.499 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -64.61 -30.51 71.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.254 -0.904 . . . . 0.0 109.088 179.721 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.487 ' O ' ' C ' ' A' ' 52' ' ' LYS . 16.9 m-20 -70.62 -72.04 0.22 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.243 -0.911 . . . . 0.0 109.247 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.487 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -39.91 -35.44 0.36 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.251 -0.906 . . . . 0.0 109.074 179.788 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.532 ' C ' HD23 ' A' ' 53' ' ' LEU . 5.0 tt -66.53 -53.75 31.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.403 -0.81 . . . . 0.0 109.418 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.776 ' O ' HG23 ' A' ' 58' ' ' VAL . 15.7 tt0 -55.9 -25.23 41.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.304 -0.872 . . . . 0.0 109.538 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt -76.83 -65.6 0.92 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.178 -0.951 . . . . 0.0 109.352 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.92 -41.35 33.45 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.178 -0.951 . . . . 0.0 109.046 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.557 ' HB1' HG21 ' A' ' 67' ' ' VAL . . . -64.93 -49.02 72.02 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.284 -0.885 . . . . 0.0 109.198 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 54' ' ' GLU . 17.3 t -50.74 -53.75 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.302 -0.874 . . . . 0.0 109.203 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -51.41 -41.99 61.15 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.222 -0.924 . . . . 0.0 109.3 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.69 -58.08 8.92 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.355 -0.841 . . . . 0.0 109.306 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 61' ' ' PHE . 15.3 t80 -47.75 -60.1 2.81 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.264 -0.897 . . . . 0.0 109.44 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -48.36 -42.36 31.36 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.297 -0.877 . . . . 0.0 109.626 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 28.7 mtm -66.09 -24.96 66.8 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.187 -0.946 . . . . 0.0 109.536 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.58 52.29 0.48 Allowed Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.618 ' CZ ' ' CE ' ' A' ' 88' ' ' MET . 23.9 m-85 -132.58 118.44 19.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.251 -1.147 . . . . 0.0 109.256 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.47 88.15 0.06 Allowed 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.153 -0.967 . . . . 0.0 109.266 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.557 HG21 ' HB1' ' A' ' 57' ' ' ALA . 9.3 p -70.19 145.65 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.348 -0.845 . . . . 0.0 109.731 -179.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.534 HD22 ' O ' ' A' ' 67' ' ' VAL . 0.7 OUTLIER -125.28 138.97 54.09 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.213 -0.929 . . . . 0.0 109.3 179.829 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -46.02 164.6 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.187 -0.945 . . . . 0.0 109.648 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.449 ' HB1' ' N ' ' A' ' 83' ' ' CYS . . . -107.88 180.0 4.06 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.204 -0.935 . . . . 0.0 109.491 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 72' ' ' GLU . 0.4 OUTLIER -148.31 118.81 7.41 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.274 -0.891 . . . . 0.0 109.393 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -41.63 117.15 0.88 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.176 -0.952 . . . . 0.0 109.406 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 N--CA 1.49 1.569 0 O-C-N 121.35 -0.844 . . . . 0.0 109.301 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.56 168.71 15.99 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.262 -0.899 . . . . 0.0 109.519 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.829 ' N ' HD12 ' A' ' 82' ' ' LEU . 4.1 mp -98.3 131.51 44.56 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.175 -0.953 . . . . 0.0 109.573 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.449 ' N ' ' HB1' ' A' ' 70' ' ' ALA . 1.7 p -124.35 113.84 18.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.402 -0.811 . . . . 0.0 109.505 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.526 ' CD1' HD21 ' A' ' 53' ' ' LEU . 5.3 p90 -100.44 162.01 13.22 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.2 -0.937 . . . . 0.0 109.219 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.531 ' OD1' ' NE2' ' A' ' 44' ' ' HIS . 0.4 OUTLIER -122.6 165.58 16.23 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.153 -0.967 . . . . 0.0 109.956 -179.575 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -139.66 160.75 39.15 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.387 -0.821 . . . . 0.0 109.037 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.02 150.01 45.31 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.029 -1.044 . . . . 0.0 110.105 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.618 ' CE ' ' CZ ' ' A' ' 65' ' ' PHE . 7.4 ttm -156.66 128.69 7.34 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.432 -0.793 . . . . 0.0 109.024 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.417 HE21 ' HG3' ' A' ' 40' ' ' GLU . 4.0 mt-30 -96.56 142.68 28.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.192 -0.943 . . . . 0.0 109.846 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.4 p -173.08 -176.91 1.47 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.37 -0.831 . . . . 0.0 109.306 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 93' ' ' ASP . . . -81.46 110.65 17.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.215 -0.928 . . . . 0.0 109.643 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 91' ' ' ALA . 14.1 tp -42.28 96.35 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.273 -0.892 . . . . 0.0 109.406 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.6 OUTLIER -144.1 138.34 28.17 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.252 -0.905 . . . . 0.0 109.586 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.55 -45.31 92.19 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.241 -0.912 . . . . 0.0 109.696 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -53.94 -51.38 64.01 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.154 -0.966 . . . . 0.0 109.53 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 97' ' ' ILE . 4.0 mp -60.49 -65.08 0.74 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.181 -0.949 . . . . 0.0 109.358 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 96' ' ' LEU . 25.7 mt -42.69 -38.88 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.272 -0.892 . . . . 0.0 109.608 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.62 -53.83 48.65 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.223 -0.923 . . . . 0.0 109.768 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -63.13 -46.6 86.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.25 -0.906 . . . . 0.0 109.886 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -56.73 -53.12 61.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.194 -0.941 . . . . 0.0 109.525 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.662 HG13 ' CZ ' ' A' ' 115' ' ' TYR . 44.2 t -61.35 -54.47 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.156 -0.965 . . . . 0.0 109.422 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 101' ' ' VAL . 21.7 mt-10 -42.08 -35.97 1.04 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.285 -0.884 . . . . 0.0 109.512 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -68.41 -62.83 1.22 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.285 -0.884 . . . . 0.0 109.406 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.416 ' H ' ' HG ' ' A' ' 104' ' ' LEU . 35.4 mt -53.03 -20.77 3.78 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.355 -0.841 . . . . 0.0 109.451 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 22.0 t -74.46 -66.03 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.248 -0.907 . . . . 0.0 109.372 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -50.88 -51.08 55.12 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.271 -0.893 . . . . 0.0 109.464 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.437 HD23 ' N ' ' A' ' 108' ' ' ALA . 1.5 tt -54.54 -46.16 73.54 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.324 -0.86 . . . . 0.0 109.759 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.537 ' HB1' HG13 ' A' ' 113' ' ' ILE . . . -53.15 -63.29 1.2 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.205 -0.934 . . . . 0.0 109.644 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.587 ' N ' ' OE1' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -55.1 -41.39 71.56 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.205 -0.934 . . . . 0.0 109.806 -179.774 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -54.94 -29.71 57.07 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.255 -0.903 . . . . 0.0 109.665 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.548 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 7.5 m-85 -95.14 -76.07 0.5 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.215 -0.928 . . . . 0.0 109.51 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.9 OUTLIER 160.91 34.6 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.425 -0.797 . . . . 0.0 109.031 -179.833 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.537 HG13 ' HB1' ' A' ' 108' ' ' ALA . 13.2 pt -119.17 166.01 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.345 -0.847 . . . . 0.0 109.567 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.663 HD12 ' N ' ' A' ' 115' ' ' TYR . 0.1 OUTLIER -114.37 113.25 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.304 -0.873 . . . . 0.0 109.353 179.825 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.663 ' N ' HD12 ' A' ' 114' ' ' ILE . 1.1 t80 -93.12 114.38 26.89 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.299 -0.876 . . . . 0.0 109.394 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.483 ' O ' ' OD1' ' A' ' 116' ' ' ASP . 5.5 t0 -162.74 84.36 0.53 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.272 -0.893 . . . . 0.0 109.4 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 163.08 83.33 0.05 OUTLIER Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -119.63 157.76 27.79 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.245 -1.15 . . . . 0.0 109.42 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 175.26 157.14 15.86 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.649 -1.38 . . . . 0.0 109.649 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.4 t -120.47 167.41 12.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.284 -1.127 . . . . 0.0 109.342 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.234 -0.916 . . . . 0.0 109.45 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 12' ' ' GLU . 12.0 tp10 . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.365 -0.605 . . . . 0.0 109.365 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.486 ' CD ' ' C ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -40.62 -31.93 0.18 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.175 -0.953 . . . . 0.0 108.983 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.435 ' N ' ' HG3' ' A' ' 12' ' ' GLU . 0.8 OUTLIER -68.67 -59.73 2.91 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.296 -0.878 . . . . 0.0 108.934 179.546 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 14.1 mt -53.79 -35.3 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.292 -0.88 . . . . 0.0 109.225 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.25 -63.13 1.39 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.478 -0.763 . . . . 0.0 109.591 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 60.1 mt -54.11 -61.04 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.32 -0.862 . . . . 0.0 109.789 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -46.38 -48.54 18.58 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.146 -0.971 . . . . 0.0 109.673 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.446 ' HZ2' ' HB3' ' A' ' 18' ' ' LYS . 11.2 ttpp -59.59 -57.69 11.84 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.234 -0.916 . . . . 0.0 109.626 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -50.6 -63.91 0.98 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.271 -0.893 . . . . 0.0 109.583 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' THR . 41.5 tt0 -41.81 -67.4 0.26 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.281 -0.887 . . . . 0.0 109.592 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.53 ' O ' ' C ' ' A' ' 22' ' ' ARG . 84.8 m -41.69 -64.81 0.52 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.211 -0.931 . . . . 0.0 109.591 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.53 ' C ' ' O ' ' A' ' 21' ' ' THR . 6.2 mtm180 -35.06 -35.37 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.206 -0.934 . . . . 0.0 109.551 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -74.48 -44.62 50.68 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.23 -0.919 . . . . 0.0 109.438 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' A' ' 21' ' ' THR . 62.8 mt -60.38 -54.13 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.22 -0.925 . . . . 0.0 109.373 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.424 ' H ' HG12 ' A' ' 25' ' ' ILE . 17.2 mm -52.28 -56.69 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.317 -0.864 . . . . 0.0 109.579 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -51.77 -29.02 17.19 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.258 -0.901 . . . . 0.0 109.465 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 24' ' ' ILE . . . -71.57 -65.4 0.76 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.239 -0.913 . . . . 0.0 109.447 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.9 mt -52.7 -39.77 62.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.285 -0.885 . . . . 0.0 109.589 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.49 ' HA ' HD22 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -64.61 -56.74 11.95 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.233 -0.917 . . . . 0.0 109.417 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -52.43 -26.2 12.05 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.265 -0.897 . . . . 0.0 109.498 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.46 -37.48 74.29 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.246 -0.909 . . . . 0.0 109.636 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 123.83 18.18 2.97 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.551 -1.419 . . . . 0.0 109.551 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.2 p -46.98 168.93 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.25 -1.147 . . . . 0.0 109.644 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -119.49 92.31 45.79 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.341 -0.85 . . . . 0.0 109.35 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -53.62 -27.53 42.1 Favored 'Trans proline' 0 C--N 1.307 -1.613 0 C-N-CA 122.87 2.38 . . . . 0.0 112.511 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -79.05 10.55 3.38 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.173 -0.954 . . . . 0.0 109.741 -179.722 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.455 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -104.98 12.36 32.43 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.183 -0.948 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' A' ' 37' ' ' ALA . 9.2 tp 60.29 146.66 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.257 -0.902 . . . . 0.0 109.596 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.411 ' CD2' HD13 ' A' ' 92' ' ' LEU . 1.9 m-85 -130.75 153.92 48.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.399 -0.813 . . . . 0.0 109.476 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.477 ' C ' HD13 ' A' ' 41' ' ' ILE . 2.4 pt-20 -115.93 119.41 35.84 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.261 -0.9 . . . . 0.0 109.538 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.544 HD13 ' N ' ' A' ' 41' ' ' ILE . 3.4 mm -97.36 156.66 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.216 -0.927 . . . . 0.0 109.443 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -138.69 125.49 20.98 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.179 -0.95 . . . . 0.0 109.507 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -111.3 134.81 52.62 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.325 -0.859 . . . . 0.0 109.486 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -98.72 123.77 43.14 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.216 -0.927 . . . . 0.0 109.182 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 3.0 mp -132.75 135.84 45.98 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.105 -0.997 . . . . 0.0 109.713 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.723 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -123.41 154.43 39.04 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.233 -0.917 . . . . 0.0 109.502 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -131.68 -179.95 5.69 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.394 -0.816 . . . . 0.0 109.463 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -107.42 -33.61 7.31 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.323 -0.861 . . . . 0.0 109.552 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.43 139.08 49.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.223 -0.923 . . . . 0.0 109.482 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -62.29 -33.24 74.27 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.234 -0.916 . . . . 0.0 109.317 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -61.34 -68.79 0.28 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.24 -0.913 . . . . 0.0 109.444 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 55' ' ' LYS . 1.1 tpmt? -45.99 -46.34 16.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.198 -0.939 . . . . 0.0 109.262 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.468 ' C ' HD23 ' A' ' 53' ' ' LEU . 5.9 tt -44.55 -47.38 10.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.297 -0.877 . . . . 0.0 109.233 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 58' ' ' VAL . 7.5 tt0 -67.9 -26.64 66.09 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.273 -0.892 . . . . 0.0 109.315 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' LYS . 18.4 mmmt -72.08 -52.66 15.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.239 -0.913 . . . . 0.0 109.589 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.84 -37.78 79.39 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.227 -0.921 . . . . 0.0 109.682 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.41 ' HB1' HG21 ' A' ' 67' ' ' VAL . . . -67.45 -41.7 84.28 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.2 -0.937 . . . . 0.0 109.573 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 54' ' ' GLU . 2.9 t -58.06 -60.23 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.168 -0.957 . . . . 0.0 109.53 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.0 -36.66 40.55 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.273 -0.892 . . . . 0.0 109.557 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.88 -55.1 25.23 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.257 -0.902 . . . . 0.0 109.534 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -51.28 -49.14 61.8 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.257 -0.902 . . . . 0.0 109.565 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 63' ' ' MET . 1.3 ttpt -52.16 -55.49 20.68 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.223 -0.923 . . . . 0.0 109.51 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 62' ' ' LYS . 1.3 mtt -42.87 -41.02 3.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.234 -0.916 . . . . 0.0 109.518 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.14 19.89 0.46 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.56 ' CZ ' ' SD ' ' A' ' 88' ' ' MET . 12.5 m-85 -98.63 161.84 13.45 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.259 -1.142 . . . . 0.0 109.577 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -112.82 90.49 3.36 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.294 -0.879 . . . . 0.0 109.1 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.41 HG21 ' HB1' ' A' ' 57' ' ' ALA . 7.8 p -62.81 150.8 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.305 -0.872 . . . . 0.0 110.105 -179.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.635 ' N ' ' O ' ' A' ' 85' ' ' ASP . 10.4 tp -127.29 139.46 52.88 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.432 -0.792 . . . . 0.0 108.945 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 68' ' ' LEU . 7.6 mt-10 -42.16 154.67 0.05 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.161 -0.962 . . . . 0.0 109.88 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.422 ' HB1' ' N ' ' A' ' 83' ' ' CYS . . . -104.99 168.06 9.3 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.336 -0.853 . . . . 0.0 109.588 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.513 ' O ' ' C ' ' A' ' 72' ' ' GLU . 4.2 tt0 -133.29 108.57 8.82 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.27 -0.893 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.513 ' C ' ' O ' ' A' ' 71' ' ' GLU . 34.2 tt0 -37.68 113.99 0.31 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.22 -0.925 . . . . 0.0 109.481 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.49 1.558 0 O-C-N 121.227 -0.92 . . . . 0.0 109.38 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt . . . . . 0 N--CA 1.489 1.517 0 CA-C-O 121.324 0.583 . . . . 0.0 109.689 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.41 HD12 ' C ' ' A' ' 81' ' ' LEU . 3.3 pp -153.36 160.46 42.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.278 -0.889 . . . . 0.0 109.29 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 mp -104.09 139.88 38.55 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.208 -0.933 . . . . 0.0 109.684 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.422 ' N ' ' HB1' ' A' ' 70' ' ' ALA . 2.5 t -125.98 103.3 7.67 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.383 -0.823 . . . . 0.0 109.329 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 4.0 p90 -91.95 155.74 17.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.158 -0.964 . . . . 0.0 109.025 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.635 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -114.93 147.42 40.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.168 -0.957 . . . . 0.0 110.141 -179.187 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -131.96 134.76 45.98 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.444 -0.785 . . . . 0.0 108.986 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.444 HG22 ' O ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -113.62 164.44 13.67 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.183 -0.948 . . . . 0.0 109.738 -179.732 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.56 ' SD ' ' CZ ' ' A' ' 65' ' ' PHE . 9.9 ttt -160.66 111.85 1.86 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.313 -0.867 . . . . 0.0 109.513 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.52 ' CD ' ' N ' ' A' ' 89' ' ' GLN . 2.0 mp0 -70.34 138.54 51.53 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.253 -0.904 . . . . 0.0 109.504 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.39 -162.23 1.46 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.261 -0.899 . . . . 0.0 109.455 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.565 ' O ' ' C ' ' A' ' 92' ' ' LEU . . . -117.34 47.85 1.44 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.232 -0.918 . . . . 0.0 109.675 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.565 ' C ' ' O ' ' A' ' 91' ' ' ALA . 2.5 tp 32.14 95.92 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.54 -0.725 . . . . 0.0 109.726 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.78 123.65 6.22 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.207 -0.933 . . . . 0.0 109.634 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.26 -37.93 67.89 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.313 -0.867 . . . . 0.0 109.45 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 41.2 mttp -63.2 -45.37 92.02 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.308 -0.87 . . . . 0.0 109.414 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 97' ' ' ILE . 4.5 tp -67.46 -64.2 0.9 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.287 -0.883 . . . . 0.0 109.313 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 96' ' ' LEU . 25.0 mt -42.35 -34.46 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.355 -0.841 . . . . 0.0 109.466 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.98 -48.8 67.37 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.261 -0.899 . . . . 0.0 109.539 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.418 ' C ' ' HZ3' ' A' ' 103' ' ' LYS . 7.5 mt-10 -61.96 -36.69 82.17 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.255 -0.903 . . . . 0.0 109.523 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -69.56 -50.64 42.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.228 -0.92 . . . . 0.0 109.65 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 22.7 t -61.69 -42.62 95.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.305 -0.872 . . . . 0.0 109.766 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -61.35 -39.53 90.94 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.308 -0.87 . . . . 0.0 109.745 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.418 ' HZ3' ' C ' ' A' ' 99' ' ' GLU . 29.3 mtmm -72.1 -36.58 69.5 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.106 -0.996 . . . . 0.0 109.628 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.41 -34.45 72.53 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.191 -0.943 . . . . 0.0 109.444 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.52 HG12 ' N ' ' A' ' 106' ' ' ASN . 2.7 t -67.07 -66.22 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.291 -0.881 . . . . 0.0 109.625 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.52 ' N ' HG12 ' A' ' 105' ' ' VAL . 7.1 m-80 -47.07 -42.47 18.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.211 -0.931 . . . . 0.0 109.796 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 108' ' ' ALA . 3.4 tt -64.48 -53.1 53.53 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.246 -0.909 . . . . 0.0 109.87 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.556 ' HB1' HG13 ' A' ' 113' ' ' ILE . . . -44.3 -57.04 3.72 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.226 -0.921 . . . . 0.0 109.757 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -60.0 -42.26 93.87 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.189 -0.945 . . . . 0.0 109.836 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -50.68 -32.97 20.82 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.141 -0.975 . . . . 0.0 109.566 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.546 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 10.6 m-85 -92.21 -74.97 0.5 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.255 -0.903 . . . . 0.0 109.591 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 1.4 m-20 160.64 35.76 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.284 -0.885 . . . . 0.0 109.424 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.556 HG13 ' HB1' ' A' ' 108' ' ' ALA . 5.3 pt -120.22 177.2 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.283 -0.885 . . . . 0.0 109.564 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.44 HG23 ' CD2' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -125.61 104.81 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.352 -0.843 . . . . 0.0 109.117 179.727 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.566 ' C ' ' CD1' ' A' ' 115' ' ' TYR . 0.8 OUTLIER -94.52 119.59 33.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.226 -0.921 . . . . 0.0 109.518 -179.681 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.481 ' N ' ' CD1' ' A' ' 115' ' ' TYR . 5.7 t70 -163.67 74.46 0.33 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.224 -0.922 . . . . 0.0 109.613 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 168.47 96.12 0.1 Allowed Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.708 -1.357 . . . . 0.0 109.708 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.405 ' CH2' HG23 ' A' ' 21' ' ' THR . 4.4 p-90 -122.96 138.55 54.65 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.187 -1.184 . . . . 0.0 109.644 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -133.56 159.25 23.59 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.0 t -127.65 150.7 49.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.143 -1.21 . . . . 0.0 109.633 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.497 0 O-C-N 121.278 -0.889 . . . . 0.0 109.277 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.406 ' H ' ' HG2' ' A' ' 12' ' ' GLU . 40.3 mm-40 -61.51 -53.7 52.93 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.211 -0.931 . . . . 0.0 109.331 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.0 mt -52.9 -50.38 64.03 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.33 -0.856 . . . . 0.0 109.232 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 78.6 mt -59.6 -30.41 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.335 -0.853 . . . . 0.0 109.557 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.7 -66.52 0.53 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.267 -0.895 . . . . 0.0 109.527 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.5 mt -52.05 -41.46 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.266 -0.896 . . . . 0.0 109.66 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.477 ' O ' ' C ' ' A' ' 18' ' ' LYS . 2.7 tp-100 -60.15 -60.43 3.83 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.183 -0.948 . . . . 0.0 109.669 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 17' ' ' GLN . 2.9 ttmt -40.49 -50.47 2.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.231 -0.918 . . . . 0.0 109.49 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.21 -50.44 70.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.265 -0.897 . . . . 0.0 109.618 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 21' ' ' THR . 30.5 tt0 -49.39 -62.79 1.35 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.225 -0.922 . . . . 0.0 109.343 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 20' ' ' GLU . 25.3 m -42.6 -53.77 4.27 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.173 -0.954 . . . . 0.0 109.315 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 21' ' ' THR . 24.4 ttp180 -43.53 -45.17 6.43 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.186 -0.946 . . . . 0.0 109.33 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -63.24 -39.02 93.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.275 -0.891 . . . . 0.0 109.473 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.472 ' O ' ' C ' ' A' ' 25' ' ' ILE . 39.0 mt -69.95 -64.31 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.216 -0.928 . . . . 0.0 109.401 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.472 ' C ' ' O ' ' A' ' 24' ' ' ILE . 19.1 mm -40.58 -44.31 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.259 -0.901 . . . . 0.0 109.192 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -58.96 5.71 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.407 -0.808 . . . . 0.0 109.399 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 28' ' ' LEU . . . -46.28 -66.32 0.42 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.238 -0.914 . . . . 0.0 109.545 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.68 ' O ' ' N ' ' A' ' 32' ' ' GLY . 13.4 mt -43.02 -65.67 0.46 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.149 -0.969 . . . . 0.0 109.36 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.543 ' C ' ' O ' ' A' ' 28' ' ' LEU . 1.3 mm? -35.43 -52.33 0.63 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.239 -0.913 . . . . 0.0 109.393 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -61.29 -35.97 78.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.303 -0.873 . . . . 0.0 109.287 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.611 ' N ' ' O ' ' A' ' 28' ' ' LEU . 7.9 m-20 -140.05 56.92 1.62 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.28 -0.888 . . . . 0.0 109.498 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.68 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . 167.2 30.74 0.02 OUTLIER Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.716 -1.353 . . . . 0.0 109.716 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.6 t -62.4 -115.49 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.22 -1.165 . . . . 0.0 109.527 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.524 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 0.6 OUTLIER 45.96 50.67 8.39 Favored Pre-proline 0 N--CA 1.49 1.525 0 O-C-N 121.19 -0.944 . . . . 0.0 109.507 -179.878 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 34' ' ' ASP . 35.6 Cg_endo -68.14 -8.02 21.6 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.794 2.329 . . . . 0.0 111.881 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -82.31 3.93 25.79 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.26 -0.9 . . . . 0.0 109.314 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.44 -107.98 0.14 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.301 -0.874 . . . . 0.0 109.354 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -167.89 144.54 4.12 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.273 -0.892 . . . . 0.0 109.354 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.577 ' CE2' HD13 ' A' ' 92' ' ' LEU . 2.3 m-85 -127.02 126.38 43.02 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.307 -0.871 . . . . 0.0 109.446 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.472 ' C ' HD12 ' A' ' 41' ' ' ILE . 2.1 pt-20 -98.73 120.61 39.46 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.129 -0.982 . . . . 0.0 109.334 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.627 HD12 ' N ' ' A' ' 41' ' ' ILE . 1.5 mp -94.4 148.21 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.284 -0.885 . . . . 0.0 109.945 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -124.15 112.73 17.44 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.391 -0.818 . . . . 0.0 109.079 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.4 ' C ' ' CD2' ' A' ' 44' ' ' HIS . 99.3 m-70 -97.19 158.49 15.42 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.236 -0.915 . . . . 0.0 109.805 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.551 ' ND1' ' O ' ' A' ' 117' ' ' GLY . 3.2 m80 -133.03 105.83 7.3 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.384 -0.823 . . . . 0.0 109.463 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.66 ' H ' HD12 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -120.35 134.85 55.19 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.316 -0.865 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.625 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -117.1 155.63 28.98 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.217 -0.927 . . . . 0.0 109.8 -179.767 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -122.99 172.5 8.46 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.439 -0.788 . . . . 0.0 109.33 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -113.86 -12.13 12.75 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.232 -0.918 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -130.89 119.87 22.8 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.293 -0.879 . . . . 0.0 109.324 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.651 ' CE2' ' OD1' ' A' ' 51' ' ' ASP . 20.7 p90 -49.3 -26.61 3.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.241 -0.912 . . . . 0.0 109.471 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.651 ' OD1' ' CE2' ' A' ' 50' ' ' PHE . 67.6 m-20 -67.81 -71.31 0.21 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.303 -0.873 . . . . 0.0 109.525 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.42 ' HZ2' ' HB2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -53.82 -26.8 25.96 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.193 -0.942 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.789 ' C ' HD23 ' A' ' 53' ' ' LEU . 6.2 tt -59.48 -50.46 73.83 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.32 -0.862 . . . . 0.0 109.476 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -65.59 -32.12 73.53 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.215 -0.928 . . . . 0.0 109.713 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.03 -63.2 1.11 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.129 -0.982 . . . . 0.0 109.714 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.24 -34.93 70.99 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.197 -0.939 . . . . 0.0 109.885 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.99 -39.21 76.03 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.165 -0.959 . . . . 0.0 109.523 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.7 t -67.62 -49.02 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.251 -0.906 . . . . 0.0 109.589 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -54.67 44.47 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.239 -0.913 . . . . 0.0 109.529 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.56 -36.03 32.63 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.245 -0.909 . . . . 0.0 109.406 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -74.75 -32.88 62.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.29 -0.881 . . . . 0.0 109.307 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -62.33 -40.01 94.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.355 -0.841 . . . . 0.0 109.329 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.6 mtt -59.54 -51.38 70.08 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.205 -0.934 . . . . 0.0 109.342 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 150.12 34.84 0.04 OUTLIER Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -110.33 141.81 42.83 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.245 -1.15 . . . . 0.0 109.694 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.68 80.64 8.93 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.264 -0.897 . . . . 0.0 109.322 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.416 ' O ' HG13 ' A' ' 67' ' ' VAL . 5.5 p -61.74 127.46 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.14 -0.975 . . . . 0.0 109.616 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.647 ' N ' ' O ' ' A' ' 85' ' ' ASP . 5.1 tp -102.57 142.98 32.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.303 -0.873 . . . . 0.0 109.253 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 68' ' ' LEU . 2.9 mm-40 -43.65 163.79 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.223 -0.923 . . . . 0.0 109.567 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.5 ' HB1' ' N ' ' A' ' 83' ' ' CYS . . . -112.56 171.18 7.68 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.222 -0.924 . . . . 0.0 109.581 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -128.75 142.72 50.91 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.309 -0.869 . . . . 0.0 109.348 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -52.09 136.31 29.79 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.232 -0.917 . . . . 0.0 109.454 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.48 0 O-C-N 121.318 -0.864 . . . . 0.0 109.493 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.5 mttt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 mt -106.47 174.9 5.69 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.349 -0.844 . . . . 0.0 109.517 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 mp -128.4 136.39 50.83 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.326 -0.859 . . . . 0.0 109.242 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.5 ' N ' ' HB1' ' A' ' 70' ' ' ALA . 16.1 m -124.73 100.1 6.47 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.216 -0.928 . . . . 0.0 109.942 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.547 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 2.2 p90 -90.78 143.5 26.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.171 -0.956 . . . . 0.0 108.743 179.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.647 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -103.04 161.97 13.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.131 -0.98 . . . . 0.0 110.044 -179.363 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -137.06 138.03 39.97 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.377 -0.827 . . . . 0.0 109.063 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.25 137.0 53.33 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.204 -0.935 . . . . 0.0 109.654 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.1 tpt -139.6 121.11 15.12 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.288 -0.882 . . . . 0.0 109.454 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -81.61 120.63 25.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.263 -0.898 . . . . 0.0 109.412 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.59 178.45 8.28 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.299 -0.876 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -91.4 142.44 27.68 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.135 -0.978 . . . . 0.0 109.42 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.577 HD13 ' CE2' ' A' ' 39' ' ' TYR . 9.6 tp -55.3 103.16 0.08 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.326 -0.859 . . . . 0.0 109.629 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -156.2 126.05 6.42 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.179 -0.951 . . . . 0.0 109.562 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.36 -40.5 94.52 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.279 -0.888 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -62.31 -56.41 18.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.274 -0.891 . . . . 0.0 109.192 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.7 mp -51.71 -43.74 62.93 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.242 -0.911 . . . . 0.0 109.008 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.488 ' O ' HG23 ' A' ' 101' ' ' VAL . 36.8 mt -64.58 -28.94 45.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.334 -0.854 . . . . 0.0 109.239 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -68.12 -52.84 30.31 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.34 -0.85 . . . . 0.0 109.573 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -59.65 -48.61 80.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.172 -0.955 . . . . 0.0 109.342 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -51.82 -52.64 47.73 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.298 -0.876 . . . . 0.0 109.435 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 97' ' ' ILE . 90.2 t -62.18 -59.29 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.236 -0.915 . . . . 0.0 109.629 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 101' ' ' VAL . 27.5 tt0 -44.18 -32.24 1.19 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.33 -0.856 . . . . 0.0 109.771 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -69.53 -49.53 53.62 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.275 -0.891 . . . . 0.0 109.519 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.444 HD22 HD21 ' A' ' 45' ' ' LEU . 23.2 mt -67.99 -25.15 65.27 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.29 -0.881 . . . . 0.0 109.452 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 101' ' ' VAL . 59.7 t -71.52 -54.52 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.235 -0.916 . . . . 0.0 109.386 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.0 -47.91 83.5 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.293 -0.879 . . . . 0.0 109.371 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.489 HD23 ' N ' ' A' ' 108' ' ' ALA . 1.5 tt -61.75 -45.75 92.58 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.301 -0.874 . . . . 0.0 109.535 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.489 ' N ' HD23 ' A' ' 107' ' ' LEU . . . -47.15 -57.44 5.12 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.15 -0.969 . . . . 0.0 109.481 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.661 ' N ' ' OE1' ' A' ' 109' ' ' GLU . 1.0 OUTLIER -66.93 -20.31 65.88 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.251 -0.906 . . . . 0.0 109.498 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -68.69 -30.69 69.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.169 -0.957 . . . . 0.0 109.494 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.543 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 10.4 m-85 -102.58 -75.52 0.6 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.193 -0.942 . . . . 0.0 109.544 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.543 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 1.9 m-20 162.25 45.89 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.28 -0.888 . . . . 0.0 109.47 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.2 pt -127.0 151.63 34.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.115 -0.99 . . . . 0.0 109.386 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.448 HG23 ' CD2' ' A' ' 46' ' ' PHE . 0.5 OUTLIER -98.01 110.17 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.308 -0.87 . . . . 0.0 109.609 -179.863 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.403 ' N ' HD12 ' A' ' 114' ' ' ILE . 15.5 t80 -89.73 127.62 35.97 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.246 -0.909 . . . . 0.0 109.338 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.466 ' CG ' ' O ' ' A' ' 116' ' ' ASP . 0.7 OUTLIER -178.12 81.16 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.127 -0.983 . . . . 0.0 109.488 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.551 ' O ' ' ND1' ' A' ' 44' ' ' HIS . . . 163.13 83.03 0.05 OUTLIER Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.464 ' O ' ' CG ' ' A' ' 118' ' ' TRP . 5.2 p-90 -121.35 132.23 54.65 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.266 -1.137 . . . . 0.0 109.281 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -139.48 165.1 25.87 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.09 150.83 48.27 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.334 -1.097 . . . . 0.0 109.363 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.239 -0.913 . . . . 0.0 109.469 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 12' ' ' GLU . 1.0 OUTLIER . . . . . 0 N--CA 1.492 1.649 0 N-CA-C 109.354 -0.609 . . . . 0.0 109.354 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.532 ' CD ' ' H ' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -44.03 -57.58 3.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.233 -0.917 . . . . 0.0 109.359 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 14' ' ' ILE . 62.7 mt -50.95 -60.44 3.08 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.224 -0.923 . . . . 0.0 109.415 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 13' ' ' LEU . 49.7 mt -45.3 -47.66 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.275 -0.89 . . . . 0.0 109.541 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.16 -51.0 65.71 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.261 -0.9 . . . . 0.0 109.292 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 83.4 mt -62.29 -24.34 34.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.232 -0.917 . . . . 0.0 109.177 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -73.75 -40.39 63.53 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.343 -0.848 . . . . 0.0 109.158 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -63.81 -33.72 76.3 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.141 -0.974 . . . . 0.0 109.101 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 20' ' ' GLU . 20.6 mt-10 -72.89 -68.87 0.45 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.338 -0.851 . . . . 0.0 109.3 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 19' ' ' GLU . 1.2 tt0 -39.51 -65.39 0.39 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.25 -0.906 . . . . 0.0 109.345 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.519 ' O ' ' C ' ' A' ' 22' ' ' ARG . 2.7 m -44.07 -68.23 0.21 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.288 -0.882 . . . . 0.0 109.33 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.538 ' CG ' HH11 ' A' ' 22' ' ' ARG . 0.0 OUTLIER -37.53 -43.19 0.58 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.348 -0.845 . . . . 0.0 109.267 179.748 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.35 -46.7 87.5 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.222 -0.924 . . . . 0.0 109.59 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.486 ' O ' ' C ' ' A' ' 25' ' ' ILE . 74.7 mt -66.65 -59.4 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.3 -0.875 . . . . 0.0 109.271 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.486 ' C ' ' O ' ' A' ' 24' ' ' ILE . 9.0 mm -39.78 -47.24 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.214 -0.929 . . . . 0.0 109.285 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -57.92 -45.75 86.05 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.303 -0.873 . . . . 0.0 109.551 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . -61.63 -43.56 98.63 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.255 -0.903 . . . . 0.0 109.661 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.5 mt -65.67 -63.9 0.99 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.191 -0.943 . . . . 0.0 109.62 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 30' ' ' GLU . 1.6 mp -50.09 -62.38 1.61 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.163 -0.961 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.526 ' C ' ' OE1' ' A' ' 30' ' ' GLU . 0.7 OUTLIER -41.99 -50.33 4.6 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.186 -0.946 . . . . 0.0 109.334 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.416 ' N ' ' OE1' ' A' ' 30' ' ' GLU . 8.6 t70 -52.69 -43.52 65.66 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.241 -0.912 . . . . 0.0 109.505 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.51 ' O ' ' C ' ' A' ' 33' ' ' SER . . . 134.87 6.55 2.23 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.854 -1.299 . . . . 0.0 109.854 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.51 ' C ' ' O ' ' A' ' 32' ' ' GLY . 65.0 p -38.3 157.02 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.068 -1.254 . . . . 0.0 109.367 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -122.05 91.77 48.9 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.218 -0.926 . . . . 0.0 109.446 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -61.5 2.82 0.44 Allowed 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.954 2.436 . . . . 0.0 112.25 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -86.06 -19.4 30.31 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.19 -0.944 . . . . 0.0 109.693 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.574 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -95.98 25.05 5.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.166 -0.959 . . . . 0.0 109.619 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.574 ' O ' ' O ' ' A' ' 37' ' ' ALA . 3.4 mt 56.59 146.08 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.148 -0.97 . . . . 0.0 109.409 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.405 ' CD1' HD12 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -117.92 167.96 10.95 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.255 -0.903 . . . . 0.0 109.462 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -121.92 135.19 54.86 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.237 -0.915 . . . . 0.0 109.505 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.463 HD12 ' N ' ' A' ' 41' ' ' ILE . 5.2 mp -128.89 151.46 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.288 -0.882 . . . . 0.0 109.4 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.93 150.3 52.19 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.213 -0.929 . . . . 0.0 109.742 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -125.32 153.52 43.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.282 -0.886 . . . . 0.0 109.241 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -118.25 110.17 17.22 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.186 -0.946 . . . . 0.0 109.805 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.644 ' N ' HD12 ' A' ' 45' ' ' LEU . 4.0 mp -124.13 130.81 53.18 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.246 -0.909 . . . . 0.0 109.209 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.717 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -118.8 163.06 17.44 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.102 -0.998 . . . . 0.0 109.899 -179.78 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.575 ' HB2' HG22 ' A' ' 113' ' ' ILE . . . -142.07 177.67 8.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.374 -0.829 . . . . 0.0 109.212 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.704 ' CD ' ' H ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -121.79 -4.73 9.16 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.256 -0.902 . . . . 0.0 109.561 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.533 ' O ' ' C ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -125.09 107.42 10.77 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.196 -0.94 . . . . 0.0 109.548 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.533 ' C ' ' O ' ' A' ' 49' ' ' ASP . 89.2 t80 -36.6 -45.63 0.53 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.208 -0.932 . . . . 0.0 109.365 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.561 ' CG ' ' NZ ' ' A' ' 55' ' ' LYS . 14.9 t0 -61.79 -69.01 0.27 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.235 -0.916 . . . . 0.0 109.234 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 51' ' ' ASP . 3.0 tppt? -40.7 -32.24 0.2 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.264 -0.897 . . . . 0.0 109.229 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.603 ' C ' HD23 ' A' ' 53' ' ' LEU . 6.5 tt -66.99 -51.11 59.19 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.27 -0.893 . . . . 0.0 109.382 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.595 ' O ' HG23 ' A' ' 58' ' ' VAL . 12.3 mt-10 -60.93 -40.97 95.24 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.233 -0.917 . . . . 0.0 109.572 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.561 ' NZ ' ' CG ' ' A' ' 51' ' ' ASP . 47.5 mttp -54.85 -63.85 1.02 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.284 -0.885 . . . . 0.0 109.677 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.66 -45.41 85.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.267 -0.896 . . . . 0.0 109.566 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.94 -64.24 0.88 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.315 -0.866 . . . . 0.0 109.62 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 54' ' ' GLU . 62.1 t -44.73 -44.21 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.199 -0.938 . . . . 0.0 109.452 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.79 -43.65 85.76 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.231 -0.918 . . . . 0.0 109.332 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.57 -45.2 84.22 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.288 -0.882 . . . . 0.0 109.438 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.579 ' O ' ' CD1' ' A' ' 61' ' ' PHE . 5.2 t80 -66.7 -19.64 65.8 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.24 -0.912 . . . . 0.0 109.529 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.5 tttm -77.79 -38.34 46.86 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.196 -0.94 . . . . 0.0 109.375 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 17.8 mtm -68.46 -49.98 55.86 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.261 -0.9 . . . . 0.0 109.483 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 158.19 -16.14 0.29 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.706 -1.358 . . . . 0.0 109.706 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.491 ' CE2' ' SD ' ' A' ' 88' ' ' MET . 57.1 m-85 -64.95 131.47 46.72 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.295 -1.121 . . . . 0.0 109.692 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -86.07 102.17 13.6 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.288 -0.882 . . . . 0.0 109.167 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 9.5 p -63.31 139.71 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.2 -0.937 . . . . 0.0 109.796 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.67 ' N ' ' O ' ' A' ' 85' ' ' ASP . 4.9 mp -111.95 138.74 48.16 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.415 -0.803 . . . . 0.0 109.081 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 68' ' ' LEU . 2.6 mm-40 -41.23 146.95 0.16 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.248 -0.907 . . . . 0.0 109.896 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.73 -179.92 5.03 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.41 -0.806 . . . . 0.0 109.391 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.505 ' O ' ' C ' ' A' ' 72' ' ' GLU . 0.9 OUTLIER -145.16 107.08 4.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.247 -0.908 . . . . 0.0 109.296 179.879 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.602 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -37.91 114.25 0.34 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.237 -0.915 . . . . 0.0 109.189 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.489 1.518 0 O-C-N 121.203 -0.935 . . . . 0.0 109.413 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 5.0 tttp . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.268 0.556 . . . . 0.0 109.742 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.552 ' C ' HD12 ' A' ' 82' ' ' LEU . 3.3 pp -141.53 173.06 11.86 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.325 -0.86 . . . . 0.0 109.284 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.644 ' N ' HD12 ' A' ' 82' ' ' LEU . 7.1 mp -112.99 136.83 52.24 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.211 -0.93 . . . . 0.0 109.411 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.568 ' SG ' ' O ' ' A' ' 83' ' ' CYS . 30.5 p -126.7 102.27 6.99 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.277 -0.889 . . . . 0.0 109.626 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.483 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 6.7 p90 -94.69 149.14 21.55 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.222 -0.924 . . . . 0.0 109.194 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.67 ' O ' ' N ' ' A' ' 68' ' ' LEU . 3.3 t70 -113.27 147.21 38.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.16 -0.963 . . . . 0.0 109.99 -179.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.423 ' HB1' ' HB3' ' A' ' 65' ' ' PHE . . . -126.38 142.9 51.36 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.269 -0.894 . . . . 0.0 109.101 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.2 166.63 12.03 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.191 -0.943 . . . . 0.0 109.881 -179.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.491 ' SD ' ' CE2' ' A' ' 65' ' ' PHE . 14.6 ttm -167.23 135.1 2.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.322 -0.861 . . . . 0.0 109.208 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.58 146.52 23.6 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.156 -0.965 . . . . 0.0 109.729 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 90.7 p -154.38 -178.16 6.95 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.324 -0.86 . . . . 0.0 109.259 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.539 ' O ' ' C ' ' A' ' 92' ' ' LEU . . . -99.28 43.48 1.06 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.215 -0.928 . . . . 0.0 109.672 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.539 ' C ' ' O ' ' A' ' 91' ' ' ALA . 0.6 OUTLIER 36.11 93.2 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.278 -0.889 . . . . 0.0 109.496 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.499 ' O ' ' C ' ' A' ' 94' ' ' ALA . 0.4 OUTLIER -160.29 110.5 1.82 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.314 -0.866 . . . . 0.0 109.406 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.527 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -38.49 -68.42 0.16 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.203 -0.935 . . . . 0.0 109.492 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.527 ' C ' ' O ' ' A' ' 94' ' ' ALA . 41.1 tttp -34.26 -43.87 0.17 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.307 -0.87 . . . . 0.0 109.757 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.4 mp -69.9 -58.02 4.36 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.17 -0.956 . . . . 0.0 109.609 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 30.1 mt -49.45 -24.51 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.239 -0.913 . . . . 0.0 109.515 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.93 -57.57 3.88 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.275 -0.891 . . . . 0.0 109.614 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -55.87 -40.06 72.4 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.219 -0.926 . . . . 0.0 109.679 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.551 ' N ' ' OE1' ' A' ' 100' ' ' GLN . 2.1 mp0 -68.08 -53.23 27.06 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.203 -0.936 . . . . 0.0 109.711 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.529 HG13 ' CE2' ' A' ' 115' ' ' TYR . 10.2 t -57.83 -33.48 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.192 -0.942 . . . . 0.0 109.578 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -66.35 -39.26 89.07 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.245 -0.909 . . . . 0.0 109.513 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -60.79 -51.68 68.3 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.271 -0.893 . . . . 0.0 109.401 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 17.1 mt -61.28 -25.06 66.84 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.237 -0.915 . . . . 0.0 109.421 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 106' ' ' ASN . 3.1 t -72.94 -61.8 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.248 -0.907 . . . . 0.0 109.508 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.421 ' N ' HG12 ' A' ' 105' ' ' VAL . 11.6 m-20 -55.2 -42.18 72.95 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.212 -0.93 . . . . 0.0 109.576 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.7 tp -66.33 -52.21 49.48 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.293 -0.88 . . . . 0.0 109.425 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.432 ' HB1' HG13 ' A' ' 113' ' ' ILE . . . -47.54 -56.36 7.27 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.328 -0.857 . . . . 0.0 110.137 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -66.64 -40.6 88.79 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.159 -0.963 . . . . 0.0 110.06 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -50.35 -28.48 8.05 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.189 -0.944 . . . . 0.0 109.919 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.5 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 9.0 m-85 -100.03 -74.73 0.59 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.092 -1.005 . . . . 0.0 109.519 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.9 OUTLIER 165.08 34.34 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.263 -0.898 . . . . 0.0 109.232 -179.797 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.575 HG22 ' HB2' ' A' ' 47' ' ' ALA . 30.7 pt -124.48 156.76 32.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.365 -0.834 . . . . 0.0 109.37 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.455 HG23 ' CE2' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -106.07 144.07 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.21 -0.931 . . . . 0.0 109.751 -179.658 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.671 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 2.0 t80 -120.04 90.23 3.29 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.333 -0.854 . . . . 0.0 109.144 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -136.57 78.9 1.73 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.185 -0.947 . . . . 0.0 109.492 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 167.02 79.79 0.04 OUTLIER Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.414 ' CD2' ' C ' ' A' ' 118' ' ' TRP . 3.3 p-90 -118.68 140.25 50.22 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.241 -1.152 . . . . 0.0 109.409 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -154.81 169.93 33.04 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.69 138.71 46.0 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.284 -1.127 . . . . 0.0 109.344 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 6.6 t80 . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.209 -0.932 . . . . 0.0 109.611 -179.934 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.438 ' H ' ' HG2' ' A' ' 12' ' ' GLU . 24.1 mm-40 -71.53 -55.41 7.88 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.353 -0.842 . . . . 0.0 109.351 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.408 ' H ' ' HG ' ' A' ' 13' ' ' LEU . 31.2 mt -49.83 -52.44 32.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.308 -0.87 . . . . 0.0 109.241 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.41 -37.27 50.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.334 -0.854 . . . . 0.0 109.502 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.51 -57.21 7.8 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.371 -0.83 . . . . 0.0 109.756 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 67.9 mt -47.77 -54.43 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.28 -0.888 . . . . 0.0 109.681 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.422 ' O ' ' OG1' ' A' ' 21' ' ' THR . 1.0 OUTLIER -65.63 -18.4 65.29 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.178 -0.951 . . . . 0.0 109.693 -179.706 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -66.41 -45.58 79.47 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.132 -0.98 . . . . 0.0 109.184 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -74.02 -55.1 6.54 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.383 -0.823 . . . . 0.0 109.508 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -53.87 -46.02 71.19 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.216 -0.928 . . . . 0.0 109.656 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 17' ' ' GLN . 37.7 m -55.39 -50.74 68.95 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.224 -0.922 . . . . 0.0 109.548 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.713 ' CG ' HH11 ' A' ' 22' ' ' ARG . 0.0 OUTLIER -53.19 -43.87 67.51 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.213 -0.929 . . . . 0.0 109.614 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -59.16 -47.95 83.41 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.217 -0.927 . . . . 0.0 109.682 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 95.0 mt -58.32 -67.13 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.23 -0.919 . . . . 0.0 109.608 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.475 HD12 ' N ' ' A' ' 25' ' ' ILE . 1.4 mp -46.08 -44.11 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.159 -0.963 . . . . 0.0 109.493 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.565 ' O ' ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -50.9 -65.94 0.47 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.284 -0.885 . . . . 0.0 109.478 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 26' ' ' GLN . . . -39.0 -45.11 1.16 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.257 -0.902 . . . . 0.0 109.549 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 mt -64.94 -31.81 73.22 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.27 -0.894 . . . . 0.0 109.726 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.565 ' N ' ' O ' ' A' ' 26' ' ' GLN . 1.5 mp -71.04 -54.78 9.96 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.106 -0.996 . . . . 0.0 109.466 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -60.15 -18.95 51.35 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.206 -0.933 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -80.56 -30.37 37.01 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.272 -0.893 . . . . 0.0 109.506 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.14 16.56 2.35 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.439 ' HG ' ' HH ' ' A' ' 39' ' ' TYR . 38.4 t -66.93 131.06 45.11 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -1.165 . . . . 0.0 109.448 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -103.19 146.23 32.06 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.366 -0.833 . . . . 0.0 109.393 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -71.63 -11.15 27.72 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.788 2.325 . . . . 0.0 112.316 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.42 ' C ' ' OD1' ' A' ' 36' ' ' ASP . 56.5 p30 -100.82 1.67 40.37 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.193 -0.942 . . . . 0.0 109.554 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.482 ' O ' ' CB ' ' A' ' 38' ' ' LEU . . . -80.71 -25.04 38.38 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.266 -0.896 . . . . 0.0 109.464 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.482 ' CB ' ' O ' ' A' ' 37' ' ' ALA . 1.2 tp 73.98 140.9 0.06 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.189 -0.945 . . . . 0.0 109.202 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.456 ' CD1' ' HB2' ' A' ' 92' ' ' LEU . 10.4 m-85 -127.12 164.85 20.69 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.273 -0.892 . . . . 0.0 109.753 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -111.31 101.2 9.69 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.292 -0.88 . . . . 0.0 109.312 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.438 ' N ' HD13 ' A' ' 41' ' ' ILE . 7.9 mm -74.85 131.12 35.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.267 -0.895 . . . . 0.0 109.584 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 119' ' ' GLY . 9.0 pt-20 -123.0 118.25 27.35 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.247 -0.908 . . . . 0.0 109.529 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.48 ' CD2' ' CD1' ' A' ' 104' ' ' LEU . 87.8 m-70 -103.55 155.51 18.48 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.256 -0.902 . . . . 0.0 109.48 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.489 ' CD2' ' SG ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER -133.25 104.88 6.68 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.243 -0.91 . . . . 0.0 109.549 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 mp -115.65 152.15 33.68 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.294 -0.878 . . . . 0.0 109.237 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.693 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -133.8 163.82 28.63 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.09 -1.006 . . . . 0.0 109.845 -179.716 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.566 ' HB2' HG22 ' A' ' 113' ' ' ILE . . . -149.13 176.67 10.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.372 -0.83 . . . . 0.0 109.284 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -112.69 -28.83 7.65 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.161 -0.962 . . . . 0.0 109.419 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 50' ' ' PHE . 1.2 m-20 -98.66 100.63 11.88 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.261 -0.899 . . . . 0.0 109.535 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' A' ' 49' ' ' ASP . 71.2 t80 -41.86 -42.96 2.86 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.182 -0.948 . . . . 0.0 109.452 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -60.32 3.57 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.189 -0.944 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.36 -21.86 38.52 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.288 -0.882 . . . . 0.0 109.406 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.462 ' C ' HD23 ' A' ' 53' ' ' LEU . 5.3 tt -69.09 -53.49 20.04 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.228 -0.92 . . . . 0.0 109.495 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.591 ' O ' HG23 ' A' ' 58' ' ' VAL . 1.8 mm-40 -63.1 -23.97 67.69 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.283 -0.885 . . . . 0.0 109.329 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -69.03 -60.8 2.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.285 -0.884 . . . . 0.0 109.227 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.23 86.75 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.23 -0.919 . . . . 0.0 109.227 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.5 -48.9 76.19 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.265 -0.897 . . . . 0.0 109.122 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 54' ' ' GLU . 11.0 t -55.14 -46.75 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.241 -0.912 . . . . 0.0 109.227 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.548 ' O ' ' OE1' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -63.39 -34.42 77.7 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.286 -0.884 . . . . 0.0 109.335 179.857 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.498 ' O ' ' C ' ' A' ' 61' ' ' PHE . . . -69.75 -64.82 0.81 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.265 -0.897 . . . . 0.0 109.374 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.498 ' C ' ' O ' ' A' ' 60' ' ' ALA . 62.8 t80 -40.17 -39.43 0.91 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.26 -0.9 . . . . 0.0 109.167 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -65.32 -46.76 79.02 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.272 -0.893 . . . . 0.0 109.299 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 60' ' ' ALA . 7.5 tpp -45.75 -42.95 12.58 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.367 -0.833 . . . . 0.0 109.39 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.4 8.78 0.7 Allowed Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.755 ' CZ ' ' SD ' ' A' ' 88' ' ' MET . 8.9 m-85 -94.1 164.42 13.07 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.267 -1.137 . . . . 0.0 109.482 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -106.47 94.8 5.34 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.372 -0.83 . . . . 0.0 109.279 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' ' 67' ' ' VAL . 14.1 p -61.58 134.69 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.249 -0.907 . . . . 0.0 109.606 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.656 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -111.54 141.46 45.09 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.302 -0.874 . . . . 0.0 109.36 179.821 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 68' ' ' LEU . 5.9 mm-40 -44.39 158.37 0.05 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.272 -0.893 . . . . 0.0 109.445 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.96 177.67 5.03 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.238 -0.914 . . . . 0.0 109.534 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.597 ' O ' ' N ' ' A' ' 73' ' ' THR . 6.2 tt0 -144.09 106.98 4.47 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.202 -0.936 . . . . 0.0 109.491 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.525 ' C ' ' O ' ' A' ' 71' ' ' GLU . 14.1 mt-10 -36.33 93.81 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.275 -0.891 . . . . 0.0 109.292 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.597 ' N ' ' O ' ' A' ' 71' ' ' GLU . 7.9 t . . . . . 0 N--CA 1.49 1.538 0 O-C-N 121.249 -0.907 . . . . 0.0 109.753 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.45 146.36 13.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.257 -0.902 . . . . 0.0 109.599 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.596 ' N ' HD12 ' A' ' 82' ' ' LEU . 7.0 mp -84.69 137.18 33.39 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.289 -0.882 . . . . 0.0 109.29 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.489 ' SG ' ' CD2' ' A' ' 44' ' ' HIS . 23.6 t -129.28 101.25 5.91 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.182 -0.949 . . . . 0.0 109.772 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.535 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 2.5 p90 -91.97 146.14 23.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.189 -0.945 . . . . 0.0 108.941 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.656 ' O ' ' N ' ' A' ' 68' ' ' LEU . 2.6 t70 -106.67 156.52 18.53 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.26 -0.9 . . . . 0.0 110.112 -179.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -127.4 152.65 47.24 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.31 147.0 51.98 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.048 -1.033 . . . . 0.0 109.967 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.755 ' SD ' ' CZ ' ' A' ' 65' ' ' PHE . 3.4 ttt -154.79 104.81 2.54 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.411 -0.806 . . . . 0.0 109.306 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.03 113.14 7.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.268 -0.895 . . . . 0.0 109.488 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 24.4 p -141.82 -179.45 6.2 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.203 -0.936 . . . . 0.0 109.455 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.39 -175.11 0.76 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.236 -0.915 . . . . 0.0 109.542 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.456 ' HB2' ' CD1' ' A' ' 39' ' ' TYR . 40.7 tp -113.45 102.38 10.26 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.301 -0.875 . . . . 0.0 109.4 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -160.85 143.07 12.51 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.256 -0.903 . . . . 0.0 109.513 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.9 -50.31 50.71 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.306 -0.871 . . . . 0.0 109.517 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.43 ' O ' ' OE2' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -52.37 -51.05 61.02 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.247 -0.908 . . . . 0.0 109.35 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.61 -35.6 76.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.316 -0.865 . . . . 0.0 109.316 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 16.5 mt -71.67 -21.14 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.373 -0.829 . . . . 0.0 109.531 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -77.53 -37.24 51.3 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.261 -0.899 . . . . 0.0 109.234 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.43 ' OE2' ' O ' ' A' ' 95' ' ' LYS . 0.7 OUTLIER -68.63 -48.36 64.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.201 -0.937 . . . . 0.0 109.336 179.805 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.761 HE21 ' N ' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -61.13 -51.78 67.63 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.263 -0.898 . . . . 0.0 109.026 179.717 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.663 HG13 ' CZ ' ' A' ' 115' ' ' TYR . 78.7 t -60.89 -27.63 41.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.358 -0.839 . . . . 0.0 109.185 179.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -64.11 -42.8 96.73 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.286 -0.884 . . . . 0.0 109.157 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -63.07 -45.05 93.99 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.288 -0.882 . . . . 0.0 109.046 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.48 ' CD1' ' CD2' ' A' ' 43' ' ' HIS . 38.9 mt -65.64 -28.36 69.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.343 -0.848 . . . . 0.0 109.487 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.9 t -71.92 -57.31 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.264 -0.898 . . . . 0.0 109.588 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -61.93 -51.46 68.02 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.324 -0.86 . . . . 0.0 109.944 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.84 -46.27 74.6 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.152 -0.968 . . . . 0.0 109.761 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.46 ' HB1' HG13 ' A' ' 113' ' ' ILE . . . -59.79 -51.04 71.44 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.203 -0.936 . . . . 0.0 109.91 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.63 -22.63 67.02 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.155 -0.966 . . . . 0.0 109.731 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -78.71 -24.42 44.95 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.13 -0.981 . . . . 0.0 109.395 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.587 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 7.0 m-85 -95.19 -72.72 0.61 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.281 -0.887 . . . . 0.0 109.32 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.587 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 1.2 m-20 158.99 34.04 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.326 -0.858 . . . . 0.0 109.479 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.566 HG22 ' HB2' ' A' ' 47' ' ' ALA . 2.1 pt -125.08 168.85 17.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.211 -0.931 . . . . 0.0 109.247 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.2 tt -111.58 151.37 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.149 -0.97 . . . . 0.0 109.588 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.663 ' CZ ' HG13 ' A' ' 101' ' ' VAL . 14.3 t80 -116.98 96.05 5.28 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.292 -0.88 . . . . 0.0 109.345 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -150.7 87.14 1.41 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.209 -0.932 . . . . 0.0 109.578 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 156.44 70.11 0.01 OUTLIER Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 7.7 p-90 -116.12 159.8 21.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.223 -1.163 . . . . 0.0 109.536 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . 0.43 ' O ' ' CG ' ' A' ' 42' ' ' GLU . . . -167.81 169.95 41.56 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 5.0 t -136.64 138.53 41.24 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.238 -1.154 . . . . 0.0 109.41 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.29 -0.881 . . . . 0.0 109.675 -179.737 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.512 ' O ' ' OE2' ' A' ' 15' ' ' GLU . 43.9 tt0 . . . . . 0 N--CA 1.49 1.575 0 CA-C-O 121.22 0.533 . . . . 0.0 109.562 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.81 -58.55 6.47 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.271 -0.893 . . . . 0.0 109.723 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.507 ' N ' HD23 ' A' ' 13' ' ' LEU . 6.2 mt -46.68 -46.2 19.9 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.305 -0.872 . . . . 0.0 109.971 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' GLU . 41.3 mt -57.66 -69.26 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.202 -0.936 . . . . 0.0 109.779 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.512 ' OE2' ' O ' ' A' ' 11' ' ' GLU . 0.7 OUTLIER -44.92 -41.54 7.3 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.155 -0.966 . . . . 0.0 109.763 -179.77 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.0 mt -61.07 -43.57 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.218 -0.926 . . . . 0.0 109.808 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -73.25 -13.58 61.17 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.192 -0.943 . . . . 0.0 109.738 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.416 ' CE ' ' OD2' ' A' ' 98' ' ' ASP . 15.2 mttt -78.7 -42.23 28.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.2 -0.938 . . . . 0.0 109.571 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -74.34 -43.47 56.46 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.24 -0.913 . . . . 0.0 109.53 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -60.94 -51.99 66.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.238 -0.913 . . . . 0.0 109.571 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.48 ' O ' ' C ' ' A' ' 22' ' ' ARG . 30.9 m -54.93 -59.47 4.69 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.242 -0.912 . . . . 0.0 109.703 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 21' ' ' THR . 0.5 OUTLIER -39.48 -49.91 2.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.243 -0.911 . . . . 0.0 109.61 -179.804 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -55.14 -43.54 74.28 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.2 -0.938 . . . . 0.0 109.723 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 25' ' ' ILE . 62.4 mt -65.02 -63.41 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.309 -0.87 . . . . 0.0 109.786 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.465 ' N ' HD13 ' A' ' 25' ' ' ILE . 5.6 mm -42.52 -50.37 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.199 -0.938 . . . . 0.0 109.703 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -57.68 -56.47 21.47 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.2 -0.937 . . . . 0.0 109.353 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.03 -51.25 13.96 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.322 -0.861 . . . . 0.0 109.647 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.575 ' O ' ' N ' ' A' ' 31' ' ' ASP . 7.9 mp -52.25 -61.47 2.25 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.173 -0.955 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 28' ' ' LEU . 2.6 mt -43.13 -49.52 6.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.224 -0.923 . . . . 0.0 109.192 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.88 -24.66 58.65 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.273 -0.892 . . . . 0.0 109.131 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.575 ' N ' ' O ' ' A' ' 28' ' ' LEU . 15.0 m-20 -81.25 -13.67 58.26 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.34 -0.85 . . . . 0.0 109.227 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.49 ' O ' ' OD1' ' A' ' 34' ' ' ASP . . . 93.34 13.09 56.48 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.729 -1.348 . . . . 0.0 109.729 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.2 t -61.98 84.89 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.149 -1.207 . . . . 0.0 109.405 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.49 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -50.14 131.9 23.72 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.232 -0.917 . . . . 0.0 109.406 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -71.38 -4.18 14.45 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 C-N-CA 122.507 2.138 . . . . 0.0 112.073 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -83.97 -5.43 59.22 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.332 -0.855 . . . . 0.0 109.405 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.57 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -91.77 7.96 39.35 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.194 -0.941 . . . . 0.0 109.641 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.57 ' O ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER 54.61 157.06 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.175 -0.953 . . . . 0.0 109.183 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -135.93 141.97 44.56 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.092 -1.005 . . . . 0.0 109.862 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -98.82 116.27 30.68 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.367 -0.833 . . . . 0.0 109.293 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mm -99.4 140.21 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.27 -0.894 . . . . 0.0 109.423 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -126.58 146.17 50.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.198 -0.939 . . . . 0.0 109.43 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.557 ' CD2' ' N ' ' A' ' 43' ' ' HIS . 2.2 m-70 -126.27 147.05 49.77 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.228 -0.92 . . . . 0.0 109.61 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -114.02 125.95 54.57 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.277 -0.89 . . . . 0.0 109.33 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.422 ' HB2' ' CE2' ' A' ' 84' ' ' PHE . 4.3 mp -133.83 136.2 44.28 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.209 -0.932 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.506 ' CD1' ' N ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -121.11 163.45 18.39 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.18 -0.95 . . . . 0.0 109.828 -179.788 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.82 179.99 7.08 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.43 -0.794 . . . . 0.0 109.447 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -122.38 -29.65 4.09 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.251 -0.906 . . . . 0.0 109.68 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.52 ' O ' ' C ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -107.7 101.17 10.5 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.177 -0.952 . . . . 0.0 109.619 -179.837 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.575 ' CE2' HD11 ' A' ' 82' ' ' LEU . 0.7 OUTLIER -34.61 -42.25 0.14 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.316 -0.865 . . . . 0.0 109.697 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -52.51 -76.12 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.156 -0.965 . . . . 0.0 109.38 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.39 -25.55 0.67 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.19 -0.943 . . . . 0.0 109.366 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.603 ' O ' HD23 ' A' ' 53' ' ' LEU . 3.3 tt -66.6 -55.98 12.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.36 -0.838 . . . . 0.0 109.566 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.542 ' O ' HG23 ' A' ' 58' ' ' VAL . 11.4 tt0 -60.96 -30.91 70.53 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.242 -0.912 . . . . 0.0 109.679 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -67.39 -59.42 3.41 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.136 -0.978 . . . . 0.0 109.587 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.54 -37.23 83.03 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.233 -0.917 . . . . 0.0 109.609 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.61 -48.75 76.03 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.209 -0.932 . . . . 0.0 109.607 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 54' ' ' GLU . 41.0 t -54.45 -49.2 67.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.233 -0.917 . . . . 0.0 109.656 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.535 ' O ' ' C ' ' A' ' 60' ' ' ALA . 2.0 tp10 -57.91 -62.73 1.6 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.22 -0.925 . . . . 0.0 109.623 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.535 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . -34.79 -43.85 0.2 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.344 -0.848 . . . . 0.0 109.675 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -68.18 -57.73 5.56 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.146 -0.971 . . . . 0.0 109.533 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.5 mtpt -50.63 -20.77 1.3 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.236 -0.915 . . . . 0.0 109.584 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.7 tpp -74.68 -52.37 11.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.087 -1.008 . . . . 0.0 109.445 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 151.19 36.78 0.03 OUTLIER Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.511 -1.435 . . . . 0.0 109.511 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.624 ' CE2' ' SD ' ' A' ' 88' ' ' MET . 10.6 m-85 -124.0 156.58 36.18 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.349 -1.089 . . . . 0.0 109.607 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 67' ' ' VAL . 75.0 mt-10 -96.0 70.69 2.88 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.299 -0.876 . . . . 0.0 109.18 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 66' ' ' GLU . 7.2 p -44.54 156.78 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.316 -0.865 . . . . 0.0 109.707 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.67 ' N ' ' O ' ' A' ' 85' ' ' ASP . 1.3 tp -138.08 136.22 36.57 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.397 -0.814 . . . . 0.0 109.247 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 68' ' ' LEU . 5.6 mt-10 -44.55 162.65 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.157 -0.965 . . . . 0.0 109.611 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.461 ' HB1' ' H ' ' A' ' 83' ' ' CYS . . . -109.93 -179.92 3.93 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.26 -0.9 . . . . 0.0 109.465 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -135.11 -171.58 2.84 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.21 -0.931 . . . . 0.0 109.502 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -104.4 102.44 12.1 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.258 -0.901 . . . . 0.0 109.436 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.251 -0.905 . . . . 0.0 109.658 -179.873 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.1 tttp . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.493 ' H ' HD12 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -154.93 -163.54 1.59 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.196 -0.94 . . . . 0.0 109.581 -179.908 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.575 HD11 ' CE2' ' A' ' 50' ' ' PHE . 2.4 mp -126.62 143.07 51.34 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.249 -0.907 . . . . 0.0 109.74 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.461 ' H ' ' HB1' ' A' ' 70' ' ' ALA . 7.8 m -135.36 109.85 8.51 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.412 -0.805 . . . . 0.0 109.67 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.627 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 1.0 OUTLIER -97.43 154.49 17.44 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.269 -0.895 . . . . 0.0 109.231 179.631 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.67 ' O ' ' N ' ' A' ' 68' ' ' LEU . 10.0 t70 -116.85 159.33 22.54 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.189 -0.944 . . . . 0.0 109.765 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -137.68 142.94 41.09 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.368 -0.833 . . . . 0.0 109.153 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.47 152.09 35.75 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.188 -0.945 . . . . 0.0 109.726 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.624 ' SD ' ' CE2' ' A' ' 65' ' ' PHE . 7.6 ttt -148.9 140.08 23.13 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.43 -0.794 . . . . 0.0 109.145 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.615 ' CD ' ' N ' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -107.78 116.24 31.59 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.093 -1.004 . . . . 0.0 109.573 -179.862 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.459 ' OG ' HD23 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -150.8 155.76 39.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.25 -0.906 . . . . 0.0 109.284 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.69 155.81 21.71 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.173 -0.954 . . . . 0.0 109.278 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.6 tp -72.53 98.74 2.36 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.188 -0.945 . . . . 0.0 109.444 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -146.0 127.69 15.24 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.145 -0.972 . . . . 0.0 109.607 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.9 -34.06 77.26 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.188 -0.945 . . . . 0.0 109.266 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -57.96 -51.28 70.31 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.303 -0.873 . . . . 0.0 109.184 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 98' ' ' ASP . 8.6 tp -64.04 -68.5 0.35 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.284 -0.885 . . . . 0.0 109.11 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.535 ' C ' ' O ' ' A' ' 96' ' ' LEU . 91.6 mt -36.4 -32.51 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.257 -0.902 . . . . 0.0 109.22 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.535 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -66.65 -56.45 10.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.264 -0.898 . . . . 0.0 109.297 179.908 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -63.56 -37.31 86.84 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.266 -0.896 . . . . 0.0 109.149 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -58.33 -53.58 56.74 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.33 -0.856 . . . . 0.0 109.137 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' A' ' 102' ' ' GLU . 21.1 t -66.09 -58.88 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.361 -0.837 . . . . 0.0 109.329 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 101' ' ' VAL . 21.8 tt0 -39.5 -32.72 0.13 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.212 -0.93 . . . . 0.0 109.335 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 101' ' ' VAL . 3.2 mmtt -76.13 -60.6 2.26 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.279 -0.888 . . . . 0.0 109.229 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.426 HD11 ' CE2' ' A' ' 65' ' ' PHE . 27.8 mt -50.38 -23.72 2.56 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.279 -0.888 . . . . 0.0 109.332 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 78.1 t -75.29 -61.2 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.327 -0.858 . . . . 0.0 109.376 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -49.88 -47.71 51.79 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.174 -0.954 . . . . 0.0 109.271 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 108' ' ' ALA . 0.8 OUTLIER -57.29 -57.5 12.34 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.229 -0.919 . . . . 0.0 109.464 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.496 ' HB1' HG13 ' A' ' 113' ' ' ILE . . . -41.44 -62.41 0.87 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.132 -0.98 . . . . 0.0 109.562 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -55.3 -38.4 68.6 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.319 -0.863 . . . . 0.0 109.717 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.4 tttp -50.37 -35.68 29.09 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.152 -0.968 . . . . 0.0 109.652 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 77.8 m-85 -96.54 -77.12 0.49 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.23 -0.919 . . . . 0.0 109.725 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.7 OUTLIER 166.02 32.42 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.252 -0.905 . . . . 0.0 109.601 -179.911 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.496 HG13 ' HB1' ' A' ' 108' ' ' ALA . 25.1 pt -115.94 174.85 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.222 -0.924 . . . . 0.0 109.281 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 115' ' ' TYR . 0.6 OUTLIER -118.22 146.15 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.248 -0.907 . . . . 0.0 109.751 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.692 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 1.3 t80 -114.88 100.11 7.97 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.438 -0.789 . . . . 0.0 108.959 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -150.84 82.87 1.34 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.18 -0.95 . . . . 0.0 109.642 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 161.54 73.06 0.02 OUTLIER Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.739 -1.345 . . . . 0.0 109.739 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.417 ' HZ2' HD12 ' A' ' 24' ' ' ILE . 5.4 p-90 -118.02 155.8 29.67 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.208 -1.172 . . . . 0.0 109.341 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 170.97 156.14 11.25 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 5.3 t -113.35 176.55 4.97 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.258 -1.142 . . . . 0.0 109.486 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.185 -0.947 . . . . 0.0 109.545 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.457 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 5.2 pt-20 -58.32 -29.55 65.99 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.143 -0.973 . . . . 0.0 109.172 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 14' ' ' ILE . 77.5 mt -72.83 -61.82 1.67 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.194 -0.941 . . . . 0.0 108.979 179.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' LEU . 10.5 mt -43.74 -43.83 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.435 -0.791 . . . . 0.0 109.321 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -56.08 -58.43 7.95 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.209 -0.932 . . . . 0.0 109.192 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.9 mt -51.06 -51.41 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.318 -0.864 . . . . 0.0 109.387 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.53 -48.09 66.3 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.296 -0.878 . . . . 0.0 109.389 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.17 -47.66 71.76 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.163 -0.961 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 20' ' ' GLU . 1.7 mm-40 -56.48 -68.73 0.19 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.289 -0.882 . . . . 0.0 109.45 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' A' ' 21' ' ' THR . 40.2 mt-10 -43.61 -63.33 0.86 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.265 -0.897 . . . . 0.0 109.143 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.504 ' O ' ' C ' ' A' ' 22' ' ' ARG . 9.0 m -38.91 -66.97 0.24 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.32 -0.862 . . . . 0.0 109.35 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.504 ' C ' ' O ' ' A' ' 21' ' ' THR . 0.6 OUTLIER -38.8 -48.82 1.57 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.233 -0.917 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -55.81 -54.7 41.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.295 -0.878 . . . . 0.0 109.485 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.453 ' O ' ' C ' ' A' ' 25' ' ' ILE . 83.0 mt -58.11 -64.35 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.243 -0.91 . . . . 0.0 109.459 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.453 ' C ' ' O ' ' A' ' 24' ' ' ILE . 15.8 mm -41.27 -46.53 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.277 -0.89 . . . . 0.0 109.604 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -57.82 -43.0 85.48 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.279 -0.888 . . . . 0.0 109.747 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.64 -43.74 98.04 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.152 -0.968 . . . . 0.0 109.712 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.2 mt -60.7 -51.88 67.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.226 -0.921 . . . . 0.0 109.721 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' A' ' 29' ' ' LEU . 5.2 mt -56.68 -55.83 29.17 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.185 -0.947 . . . . 0.0 109.521 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -49.26 -28.56 4.8 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.346 -0.847 . . . . 0.0 109.434 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -72.72 -18.08 61.56 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.271 -0.893 . . . . 0.0 109.45 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.461 ' O ' ' O ' ' A' ' 33' ' ' SER . . . 79.43 37.73 23.26 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.59 ' OG ' ' N ' ' A' ' 34' ' ' ASP . 2.0 p -60.71 -143.4 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.268 -1.136 . . . . 0.0 109.465 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.59 ' N ' ' OG ' ' A' ' 33' ' ' SER . 0.6 OUTLIER -144.15 69.99 16.2 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.194 -0.942 . . . . 0.0 109.546 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -54.64 -8.3 1.2 Allowed 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.816 2.344 . . . . 0.0 112.141 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -83.59 -24.55 31.47 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.274 -0.891 . . . . 0.0 109.632 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.503 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -86.92 28.57 0.89 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.188 -0.945 . . . . 0.0 109.504 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.503 ' O ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER 55.14 162.51 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.169 -0.957 . . . . 0.0 109.251 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.74 167.99 18.55 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.241 -0.912 . . . . 0.0 109.54 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -123.19 124.79 43.82 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.333 -0.854 . . . . 0.0 109.49 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.489 HD12 ' N ' ' A' ' 41' ' ' ILE . 1.8 mp -104.6 154.16 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.21 -0.931 . . . . 0.0 109.37 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.403 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 17.2 tt0 -133.33 118.76 18.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.28 -0.887 . . . . 0.0 109.605 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -102.06 152.48 20.93 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.361 -0.837 . . . . 0.0 109.36 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.66 ' C ' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -123.46 129.97 52.01 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.267 -0.895 . . . . 0.0 109.338 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.66 HD12 ' C ' ' A' ' 44' ' ' HIS . 5.7 mp -141.7 138.3 32.33 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.232 -0.917 . . . . 0.0 109.456 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.694 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -125.87 171.69 10.5 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.24 -0.912 . . . . 0.0 109.594 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.846 ' HB2' HG22 ' A' ' 113' ' ' ILE . . . -154.59 172.62 17.55 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.397 -0.814 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -112.75 -23.5 10.13 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.297 -0.877 . . . . 0.0 109.326 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.52 ' O ' ' C ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -102.38 91.9 4.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.268 -0.895 . . . . 0.0 109.264 179.868 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.701 ' CD1' ' N ' ' A' ' 51' ' ' ASP . 1.3 p90 -37.16 -42.67 0.46 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.207 -0.933 . . . . 0.0 109.481 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.701 ' N ' ' CD1' ' A' ' 50' ' ' PHE . 54.3 t0 -55.14 -66.79 0.35 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.26 -0.9 . . . . 0.0 109.379 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.49 -32.74 28.49 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.165 -0.96 . . . . 0.0 109.272 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.615 ' O ' HD23 ' A' ' 53' ' ' LEU . 4.6 tt -58.76 -52.24 66.56 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.261 -0.899 . . . . 0.0 109.476 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -57.12 -35.16 69.13 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.306 -0.871 . . . . 0.0 109.698 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -62.86 -68.39 0.34 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.194 -0.941 . . . . 0.0 110.003 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.42 ' HB2' ' CG ' ' A' ' 111' ' ' PHE . . . -56.45 -21.71 27.31 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.162 -0.961 . . . . 0.0 110.17 -179.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.05 -51.59 10.07 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.041 -1.037 . . . . 0.0 109.68 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.9 t -59.1 -27.21 35.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.323 -0.861 . . . . 0.0 109.873 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.61 -52.22 12.34 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.078 -1.014 . . . . 0.0 109.446 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.36 -42.35 81.88 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.195 -0.94 . . . . 0.0 109.395 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -65.2 -36.99 85.9 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.277 -0.89 . . . . 0.0 109.341 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -74.5 -17.76 60.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.276 -0.89 . . . . 0.0 109.456 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 5.5 ttm -76.4 -52.14 10.47 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.286 -0.883 . . . . 0.0 109.381 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 159.26 1.04 0.08 OUTLIER Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.431 -1.467 . . . . 0.0 109.431 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -83.66 169.04 15.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.266 -1.137 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -115.9 81.63 1.63 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.203 -0.936 . . . . 0.0 109.156 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.0 p -55.93 139.93 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.333 -0.855 . . . . 0.0 110.031 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.671 ' N ' ' O ' ' A' ' 85' ' ' ASP . 1.0 OUTLIER -118.87 140.07 50.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.413 -0.804 . . . . 0.0 108.886 179.597 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 68' ' ' LEU . 17.1 mt-10 -42.22 149.77 0.15 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.15 -0.969 . . . . 0.0 109.502 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.453 ' HB1' ' H ' ' A' ' 83' ' ' CYS . . . -95.37 175.48 6.56 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.286 -0.884 . . . . 0.0 109.795 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.529 ' O ' ' C ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -132.32 98.09 4.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.432 -0.793 . . . . 0.0 109.413 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.529 ' C ' ' O ' ' A' ' 71' ' ' GLU . 19.3 mt-10 -36.8 109.18 0.09 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.262 -0.899 . . . . 0.0 109.485 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.691 HG22 ' SG ' ' A' ' 83' ' ' CYS . 8.9 t . . . . . 0 N--CA 1.489 1.525 0 O-C-N 121.253 -0.904 . . . . 0.0 109.428 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.6 pttp . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.43 -169.3 3.1 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.172 -0.955 . . . . 0.0 109.737 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.521 ' N ' HD12 ' A' ' 82' ' ' LEU . 4.6 mp -121.72 142.3 50.31 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.28 -0.887 . . . . 0.0 109.428 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.691 ' SG ' HG22 ' A' ' 73' ' ' THR . 0.0 OUTLIER -133.28 105.22 6.85 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.259 -0.901 . . . . 0.0 109.78 -179.853 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.616 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 1.0 OUTLIER -93.83 155.74 17.04 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.165 -0.959 . . . . 0.0 109.207 179.684 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.671 ' O ' ' N ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -111.67 147.56 35.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.213 -0.929 . . . . 0.0 109.877 -179.571 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -126.77 122.47 34.9 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.248 -0.908 . . . . 0.0 109.278 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.96 158.25 16.67 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.232 -0.917 . . . . 0.0 109.679 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.503 ' C ' HE21 ' A' ' 89' ' ' GLN . 2.1 ttm -159.5 142.41 14.08 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.243 -0.91 . . . . 0.0 109.484 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLN . . . . . 0.576 ' N ' ' NE2' ' A' ' 89' ' ' GLN . 2.1 mm-40 -92.4 121.08 33.53 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.129 -0.982 . . . . 0.0 109.326 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.81 154.23 38.1 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.284 -0.885 . . . . 0.0 109.534 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.14 152.71 43.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.207 -0.933 . . . . 0.0 109.489 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.1 tp -70.21 118.49 13.11 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.299 -0.876 . . . . 0.0 109.613 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.476 ' HB2' HD22 ' A' ' 96' ' ' LEU . 6.7 m-20 -172.23 135.21 0.75 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.279 -0.888 . . . . 0.0 109.367 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.502 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -65.36 -68.74 0.34 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.252 -0.905 . . . . 0.0 109.458 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 94' ' ' ALA . 0.3 OUTLIER -37.12 -39.68 0.26 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.291 -0.88 . . . . 0.0 109.423 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.476 HD22 ' HB2' ' A' ' 93' ' ' ASP . 2.8 mp -60.61 -61.27 2.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.296 -0.878 . . . . 0.0 109.454 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.546 ' O ' HG23 ' A' ' 101' ' ' VAL . 19.3 mt -55.02 -28.48 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.215 -0.928 . . . . 0.0 109.612 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -64.38 -54.5 31.87 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.199 -0.938 . . . . 0.0 109.385 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -61.22 -45.6 93.9 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.215 -0.928 . . . . 0.0 109.412 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -56.06 -59.17 5.29 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.204 -0.935 . . . . 0.0 109.449 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.629 HG13 ' CZ ' ' A' ' 115' ' ' TYR . 97.9 t -50.27 -53.44 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.195 -0.941 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 101' ' ' VAL . 23.8 tt0 -41.58 -43.71 2.81 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.259 -0.901 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -66.88 -58.43 5.02 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.294 -0.879 . . . . 0.0 109.396 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 32.2 mt -50.56 -18.67 0.72 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.283 -0.885 . . . . 0.0 109.077 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 101' ' ' VAL . 95.8 t -84.97 -69.21 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.388 -0.82 . . . . 0.0 109.229 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -47.47 -34.45 7.37 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.19 -0.944 . . . . 0.0 108.976 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.04 -51.76 23.47 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.416 -0.802 . . . . 0.0 109.186 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.417 ' HB1' HG13 ' A' ' 113' ' ' ILE . . . -53.78 -54.38 39.01 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.281 -0.887 . . . . 0.0 109.13 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -58.76 -29.95 67.17 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.357 -0.839 . . . . 0.0 109.357 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.72 -29.6 70.16 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.304 -0.872 . . . . 0.0 109.375 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.593 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 58.9 m-85 -100.63 -77.42 0.54 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.25 -0.906 . . . . 0.0 109.392 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.593 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 1.3 m-20 158.99 36.19 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.252 -0.905 . . . . 0.0 109.735 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.846 HG22 ' HB2' ' A' ' 47' ' ' ALA . 6.0 pt -114.64 156.15 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.077 -1.015 . . . . 0.0 109.449 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.458 HG23 ' CE2' ' A' ' 46' ' ' PHE . 1.0 OUTLIER -97.95 106.62 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.298 -0.876 . . . . 0.0 109.768 -179.581 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' TYR . . . . . 0.629 ' CZ ' HG13 ' A' ' 101' ' ' VAL . 2.5 t80 -85.29 109.19 18.19 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.187 -0.945 . . . . 0.0 109.228 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.482 ' OD1' ' C ' ' A' ' 116' ' ' ASP . 36.6 t0 -164.57 85.1 0.42 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.188 -0.945 . . . . 0.0 109.467 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 160.75 72.69 0.02 OUTLIER Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 7.1 p-90 -118.04 143.76 46.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.241 -1.152 . . . . 0.0 109.395 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -169.48 174.63 43.83 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.1 t -144.29 171.09 14.79 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.179 -1.189 . . . . 0.0 109.474 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 13.7 p90 . . . . . 0 N--CA 1.489 1.507 0 O-C-N 121.316 -0.865 . . . . 0.0 109.398 179.771 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.455 ' O ' ' C ' ' A' ' 2' ' ' SER . 34.4 mtt . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.466 ' O ' ' OG ' ' A' ' 2' ' ' SER . 26.8 p 42.18 85.02 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.16 -0.963 . . . . 0.0 109.411 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.601 ' ND1' ' N ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -80.11 43.8 0.64 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.306 -0.871 . . . . 0.0 109.509 -179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.7 tp60 -91.27 68.52 5.94 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.201 -0.937 . . . . 0.0 109.427 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -153.62 67.61 0.76 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.202 -0.937 . . . . 0.0 109.463 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -138.35 78.8 1.7 Allowed 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.208 -0.932 . . . . 0.0 109.471 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.482 ' CD1' ' N ' ' A' ' 7' ' ' TYR . 0.5 OUTLIER -89.34 95.87 10.47 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.252 -0.905 . . . . 0.0 109.56 179.921 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.439 ' O ' ' OG ' ' A' ' 9' ' ' SER . 8.3 tp -143.45 72.49 1.36 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.179 -0.951 . . . . 0.0 109.404 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.543 ' O ' ' C ' ' A' ' 10' ' ' VAL . 46.2 m -170.18 60.14 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.259 -0.9 . . . . 0.0 109.356 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.543 ' C ' ' O ' ' A' ' 9' ' ' SER . 20.3 m -34.63 -36.94 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.42 -0.8 . . . . 0.0 109.6 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 9' ' ' SER . 12.8 mt-10 -47.93 -37.09 13.59 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.242 -0.911 . . . . 0.0 109.476 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 9' ' ' SER . 3.3 mm-40 -73.69 -56.15 5.37 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.262 -0.899 . . . . 0.0 109.48 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.472 ' N ' HD23 ' A' ' 13' ' ' LEU . 4.1 mt -51.14 -43.6 61.23 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.217 -0.927 . . . . 0.0 109.43 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.2 mt -58.38 -47.03 89.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.285 -0.884 . . . . 0.0 109.38 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.74 -59.43 5.03 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.287 -0.883 . . . . 0.0 109.355 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.517 ' O ' ' C ' ' A' ' 17' ' ' GLN . 67.6 mt -45.92 -75.53 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.276 -0.89 . . . . 0.0 109.548 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.525 ' O ' ' OG1' ' A' ' 21' ' ' THR . 1.3 tp60 -35.93 -35.41 0.07 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.31 -0.869 . . . . 0.0 109.542 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 16' ' ' ILE . 1.0 OUTLIER -57.18 -58.68 7.16 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.172 -0.955 . . . . 0.0 109.563 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 20' ' ' GLU . 9.9 tt0 -65.32 -62.84 1.3 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.27 -0.894 . . . . 0.0 109.509 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.483 ' O ' ' C ' ' A' ' 21' ' ' THR . 12.1 mt-10 -40.05 -67.39 0.23 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.243 -0.911 . . . . 0.0 109.638 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.525 ' OG1' ' O ' ' A' ' 17' ' ' GLN . 10.0 m -38.31 -61.13 0.71 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.186 -0.946 . . . . 0.0 109.536 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' THR . 10.3 mmm180 -44.2 -52.89 7.03 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.249 -0.907 . . . . 0.0 109.42 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -49.73 -51.49 38.47 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.232 -0.918 . . . . 0.0 109.46 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.461 HD12 ' HZ2' ' A' ' 118' ' ' TRP . 3.6 mt -57.81 -57.25 11.24 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.282 -0.886 . . . . 0.0 109.446 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.43 ' N ' HD13 ' A' ' 25' ' ' ILE . 8.1 mm -46.94 -40.22 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.265 -0.897 . . . . 0.0 109.37 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -57.62 -52.42 65.51 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.286 -0.883 . . . . 0.0 109.381 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.92 -55.07 37.37 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.237 -0.914 . . . . 0.0 109.352 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -48.48 -48.18 38.06 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.236 -0.915 . . . . 0.0 109.25 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.65 ' O ' ' N ' ' A' ' 32' ' ' GLY . 5.4 mt -62.39 -66.67 0.51 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.319 -0.863 . . . . 0.0 109.286 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.538 ' C ' ' O ' ' A' ' 29' ' ' LEU . 3.6 tt0 -36.19 -36.96 0.1 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.248 -0.908 . . . . 0.0 109.297 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 29' ' ' LEU . 10.0 t70 -58.42 -31.32 67.62 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.234 -0.916 . . . . 0.0 109.266 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.65 ' N ' ' O ' ' A' ' 29' ' ' LEU . . . 121.75 2.43 10.46 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.3 m -51.18 169.99 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.235 -1.156 . . . . 0.0 109.518 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -132.68 147.15 64.4 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.146 -0.971 . . . . 0.0 109.531 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -70.92 -15.88 32.71 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.714 2.276 . . . . 0.0 112.223 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.64 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -94.82 -7.01 41.56 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.234 -0.916 . . . . 0.0 109.362 179.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.563 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -69.9 -9.01 53.41 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.313 -0.867 . . . . 0.0 109.53 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.563 ' O ' ' O ' ' A' ' 37' ' ' ALA . 5.0 mt 56.75 125.33 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.256 -0.902 . . . . 0.0 109.266 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -117.79 147.92 42.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.244 -0.91 . . . . 0.0 109.827 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -98.95 109.32 22.09 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.338 -0.851 . . . . 0.0 109.128 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.462 HD13 ' N ' ' A' ' 41' ' ' ILE . 4.1 mm -76.45 145.81 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.213 -0.929 . . . . 0.0 109.679 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 54.6 tt0 -126.28 139.23 53.48 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.339 -0.851 . . . . 0.0 109.45 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -135.24 132.66 38.12 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.261 -0.899 . . . . 0.0 109.411 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -101.35 131.3 47.48 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.155 -0.966 . . . . 0.0 109.57 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 mp -137.41 132.73 33.89 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.229 -0.919 . . . . 0.0 109.183 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.698 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -127.36 160.07 32.52 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.142 -0.974 . . . . 0.0 109.891 -179.776 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.503 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -139.83 177.22 8.11 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.408 -0.807 . . . . 0.0 109.589 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -113.61 -14.43 12.64 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.246 -0.909 . . . . 0.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.74 119.64 40.01 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.224 -0.922 . . . . 0.0 109.325 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -52.57 -41.77 63.88 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.209 -0.932 . . . . 0.0 109.446 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.452 ' OD1' ' C ' ' A' ' 51' ' ' ASP . 27.8 t0 -71.12 -60.78 2.05 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.276 -0.89 . . . . 0.0 109.494 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.95 -32.76 2.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.179 -0.95 . . . . 0.0 109.094 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.503 HD12 ' HB3' ' A' ' 47' ' ' ALA . 6.1 tt -63.98 -67.33 0.44 Allowed 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.469 -0.769 . . . . 0.0 109.382 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -51.37 -23.04 3.35 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.238 -0.914 . . . . 0.0 109.26 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.0 -60.06 2.44 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.301 -0.874 . . . . 0.0 109.341 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.08 -32.91 74.64 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.265 -0.897 . . . . 0.0 109.463 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.45 -33.92 76.12 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.316 -0.865 . . . . 0.0 109.459 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 t -68.66 -52.86 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.215 -0.928 . . . . 0.0 109.271 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -52.62 -56.08 17.92 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.161 -0.962 . . . . 0.0 109.322 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.03 -59.13 3.33 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.232 -0.917 . . . . 0.0 109.474 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -56.65 -26.3 55.82 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.269 -0.894 . . . . 0.0 109.626 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.1 ttmt -67.46 -40.11 85.35 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.221 -0.924 . . . . 0.0 109.386 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 9.3 mtm -66.27 -56.18 12.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.227 -0.921 . . . . 0.0 109.405 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 158.32 49.36 0.01 OUTLIER Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.497 ' CZ ' ' SD ' ' A' ' 88' ' ' MET . 40.0 m-85 -123.96 132.36 53.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.201 -1.176 . . . . 0.0 109.523 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -72.39 78.22 1.02 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.22 -0.925 . . . . 0.0 109.481 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 8.7 p -57.61 140.07 16.39 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.262 -0.899 . . . . 0.0 109.485 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.629 ' N ' ' O ' ' A' ' 85' ' ' ASP . 1.8 tp -115.27 141.19 48.36 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.264 -0.898 . . . . 0.0 109.552 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -52.63 150.69 4.88 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.245 -0.91 . . . . 0.0 109.472 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.408 ' HB1' ' N ' ' A' ' 83' ' ' CYS . . . -96.5 179.92 4.84 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.31 -0.869 . . . . 0.0 109.599 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.538 ' O ' ' C ' ' A' ' 72' ' ' GLU . 8.2 tt0 -158.43 146.66 18.51 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.338 -0.851 . . . . 0.0 109.268 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.614 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -35.41 117.95 0.44 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.256 -0.903 . . . . 0.0 109.421 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.34 170.9 8.34 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.258 -0.901 . . . . 0.0 109.77 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.494 ' O ' ' OE1' ' A' ' 74' ' ' GLU . 0.9 OUTLIER -140.12 122.62 16.16 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.343 -0.848 . . . . 0.0 109.23 179.892 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.669 ' O ' ' N ' ' A' ' 77' ' ' ASP . 0.8 OUTLIER -120.25 52.23 1.16 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.162 -0.961 . . . . 0.0 109.596 -179.858 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.517 ' C ' ' O ' ' A' ' 75' ' ' ASP . 2.7 mp0 37.89 22.46 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.265 -0.897 . . . . 0.0 109.394 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.669 ' N ' ' O ' ' A' ' 75' ' ' ASP . 9.4 t70 -154.46 -9.63 0.14 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.305 -0.872 . . . . 0.0 109.583 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.531 ' C ' ' H ' ' A' ' 80' ' ' LYS . . . -126.43 -43.8 0.26 Allowed Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.651 -1.38 . . . . 0.0 109.651 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 65.86 -9.54 0.27 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.199 -1.177 . . . . 0.0 109.367 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.531 ' H ' ' C ' ' A' ' 78' ' ' GLY . 0.2 OUTLIER -165.64 76.12 0.24 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.335 -0.853 . . . . 0.0 109.399 -179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.81 163.97 21.73 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.246 -0.908 . . . . 0.0 109.65 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 82' ' ' LEU . 7.5 mp -95.15 132.0 40.56 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.352 -0.843 . . . . 0.0 109.532 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.408 ' N ' ' HB1' ' A' ' 70' ' ' ALA . 37.0 t -134.06 108.32 8.27 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.245 -0.909 . . . . 0.0 110.084 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.63 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.7 OUTLIER -98.64 166.46 11.32 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.217 -0.927 . . . . 0.0 109.009 179.375 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.629 ' O ' ' N ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -125.57 153.89 43.01 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.153 -0.967 . . . . 0.0 109.924 -179.495 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -127.58 141.2 51.7 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.403 -0.811 . . . . 0.0 109.299 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.38 160.34 28.36 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.247 -0.908 . . . . 0.0 109.494 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.505 ' SD ' ' NE2' ' A' ' 100' ' ' GLN . 8.1 ttt -158.48 119.57 3.41 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.318 -0.864 . . . . 0.0 109.517 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -74.02 129.02 37.04 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.259 -0.901 . . . . 0.0 109.348 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.6 p -166.59 156.48 11.62 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.254 -0.904 . . . . 0.0 109.709 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.76 174.78 0.74 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.304 -0.872 . . . . 0.0 109.409 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.405 HD21 HG23 ' A' ' 25' ' ' ILE . 3.0 tp -92.88 100.29 12.78 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.291 -0.88 . . . . 0.0 109.298 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -145.49 137.47 25.48 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.184 -0.948 . . . . 0.0 109.528 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.454 ' O ' ' CG ' ' A' ' 98' ' ' ASP . . . -68.44 -39.0 81.67 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.213 -0.929 . . . . 0.0 109.294 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.6 mmtp -61.36 -47.69 84.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.232 -0.917 . . . . 0.0 109.232 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 99' ' ' GLU . 5.0 tt -64.03 -61.69 2.11 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.289 -0.882 . . . . 0.0 109.218 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.438 ' O ' HG23 ' A' ' 101' ' ' VAL . 38.6 mt -46.03 -40.98 3.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.265 -0.897 . . . . 0.0 109.197 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.454 ' CG ' ' O ' ' A' ' 94' ' ' ALA . 45.0 m-20 -62.36 -34.74 77.27 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.294 -0.879 . . . . 0.0 109.234 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 96' ' ' LEU . 3.6 mm-40 -66.9 -52.98 36.68 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.293 -0.88 . . . . 0.0 109.519 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.505 ' NE2' ' SD ' ' A' ' 88' ' ' MET . 91.2 mt-30 -50.32 -36.3 31.32 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.156 -0.965 . . . . 0.0 109.292 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.54 HG13 ' CZ ' ' A' ' 115' ' ' TYR . 55.6 t -72.7 -33.2 43.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.29 -0.881 . . . . 0.0 109.472 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.457 ' O ' ' OD1' ' A' ' 106' ' ' ASN . 0.7 OUTLIER -68.93 -41.91 77.48 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.246 -0.909 . . . . 0.0 109.521 -179.873 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 12.8 mttp -70.91 -47.84 56.92 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.149 -0.969 . . . . 0.0 109.627 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.438 ' HA ' HD23 ' A' ' 104' ' ' LEU . 48.4 mt -63.81 -34.34 77.69 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.211 -0.931 . . . . 0.0 109.568 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.415 HG22 ' CD2' ' A' ' 115' ' ' TYR . 4.9 t -70.58 -56.78 9.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.166 -0.959 . . . . 0.0 109.544 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.457 ' OD1' ' O ' ' A' ' 102' ' ' GLU . 2.0 m120 -55.04 -42.84 73.16 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.19 -0.943 . . . . 0.0 109.42 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 2.1 tt -66.76 -40.95 88.43 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.255 -0.903 . . . . 0.0 109.398 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.64 -54.96 41.19 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.251 -0.906 . . . . 0.0 109.578 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -65.78 -21.48 66.5 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.294 -0.879 . . . . 0.0 109.457 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -72.86 -27.43 61.91 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.27 -0.894 . . . . 0.0 109.627 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.508 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 8.3 m-85 -98.46 -76.97 0.52 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.217 -0.927 . . . . 0.0 109.651 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.508 ' OD1' ' O ' ' A' ' 111' ' ' PHE . 0.4 OUTLIER 166.08 33.43 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.105 -0.997 . . . . 0.0 109.634 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.5 pt -116.88 178.05 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.502 0 O-C-N 121.219 -0.926 . . . . 0.0 109.538 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.49 HD12 ' N ' ' A' ' 115' ' ' TYR . 0.2 OUTLIER -124.47 110.05 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.224 -0.922 . . . . 0.0 109.478 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.54 ' CZ ' HG13 ' A' ' 101' ' ' VAL . 1.1 t80 -89.98 117.12 28.54 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.246 -0.909 . . . . 0.0 109.257 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -158.86 73.62 0.62 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.178 -0.951 . . . . 0.0 109.661 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 171.58 95.49 0.1 OUTLIER Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.641 -1.383 . . . . 0.0 109.641 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.461 ' HZ2' HD12 ' A' ' 24' ' ' ILE . 1.2 p-90 -124.37 133.68 53.36 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.173 -1.192 . . . . 0.0 109.294 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -144.65 157.78 27.35 Favored Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.629 -1.388 . . . . 0.0 109.629 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.2 t -128.64 128.13 43.56 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.199 -1.177 . . . . 0.0 109.543 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -64.47 169.05 5.12 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.242 -0.911 . . . . 0.0 109.472 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.519 ' CD1' ' C ' ' A' ' 122' ' ' TYR . 0.8 OUTLIER -133.5 93.75 3.19 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.261 -0.899 . . . . 0.0 109.28 179.848 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -74.03 140.74 45.62 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.299 -0.876 . . . . 0.0 109.622 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 115.53 64.71 0.39 Allowed Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.4 mp -96.03 133.78 39.85 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.172 -1.193 . . . . 0.0 109.445 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -84.67 -99.35 0.06 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.263 -0.898 . . . . 0.0 109.581 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -132.09 152.96 50.92 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.263 -0.898 . . . . 0.0 109.595 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.487 ' O ' ' O ' ' A' ' 129' ' ' HIS . 10.8 t60 -112.89 -124.17 0.28 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.312 -0.868 . . . . 0.0 109.145 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.579 ' ND1' ' N ' ' A' ' 129' ' ' HIS . 0.0 OUTLIER -53.26 -170.22 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.084 -1.01 . . . . 0.0 109.192 179.808 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.53 ' O ' ' O ' ' A' ' 129' ' ' HIS . 23.5 t-160 53.79 110.4 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.159 -0.963 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 64.09 98.86 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.213 -0.93 . . . . 0.0 109.353 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.58 0 CA-C-O 117.932 -1.033 . . . . 0.0 109.495 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 ptp . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.9 m -113.02 5.79 17.37 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.264 -0.897 . . . . 0.0 109.498 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -124.74 78.63 1.7 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.3 -0.875 . . . . 0.0 109.497 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.53 -161.05 0.17 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.214 -0.929 . . . . 0.0 109.503 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -144.22 89.65 2.04 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.33 -0.857 . . . . 0.0 109.47 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -110.25 74.14 0.87 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.262 -0.899 . . . . 0.0 109.497 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -46.43 138.8 5.41 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.267 -0.896 . . . . 0.0 109.406 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.959 ' H ' HD23 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -60.31 146.96 42.13 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.205 -0.934 . . . . 0.0 109.647 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 11' ' ' GLU . 4.7 m -146.27 71.19 1.24 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.258 -0.901 . . . . 0.0 109.15 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.47 ' HA ' HD12 ' A' ' 13' ' ' LEU . 13.1 m -46.85 -20.12 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.336 -0.853 . . . . 0.0 109.826 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 9' ' ' SER . 60.9 tt0 -61.07 -39.83 91.36 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.105 -0.997 . . . . 0.0 109.464 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -70.0 -40.42 75.28 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.294 -0.879 . . . . 0.0 109.532 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 10' ' ' VAL . 13.9 mt -67.18 -43.22 82.73 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.253 -0.905 . . . . 0.0 109.71 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 15' ' ' GLU . 8.0 mt -62.76 -59.07 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.268 -0.895 . . . . 0.0 109.721 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 14' ' ' ILE . 4.1 tt0 -42.96 -57.96 2.62 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.253 -0.904 . . . . 0.0 109.611 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.8 mt -48.49 -47.03 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.191 -0.943 . . . . 0.0 109.593 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.512 ' O ' ' C ' ' A' ' 18' ' ' LYS . 3.3 mm100 -53.91 -65.74 0.52 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.208 -0.933 . . . . 0.0 109.532 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.512 ' C ' ' O ' ' A' ' 17' ' ' GLN . 31.3 mttt -35.16 -42.95 0.2 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.292 -0.88 . . . . 0.0 109.662 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.526 ' O ' ' C ' ' A' ' 20' ' ' GLU . 1.9 tt0 -72.54 -66.62 0.64 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.225 -0.922 . . . . 0.0 109.727 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.526 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.9 OUTLIER -35.09 -46.8 0.35 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.254 -0.904 . . . . 0.0 109.608 -179.778 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.465 ' O ' ' C ' ' A' ' 22' ' ' ARG . 48.9 m -60.53 -58.92 6.44 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.236 -0.915 . . . . 0.0 109.235 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.736 ' CG ' HH11 ' A' ' 22' ' ' ARG . 0.0 OUTLIER -39.38 -52.22 2.06 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.253 -0.904 . . . . 0.0 109.506 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -57.23 -40.75 78.18 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.323 -0.861 . . . . 0.0 109.704 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 26' ' ' GLN . 68.1 mt -70.21 -66.69 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.242 -0.911 . . . . 0.0 109.669 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.415 ' C ' ' O ' ' A' ' 24' ' ' ILE . 1.2 mp -45.16 -22.95 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.112 -0.992 . . . . 0.0 109.264 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 24' ' ' ILE . 5.0 mm-40 -71.75 -56.51 5.64 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.25 -0.906 . . . . 0.0 109.479 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.0 -41.1 77.83 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.245 -0.909 . . . . 0.0 109.615 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.5 mt -60.24 -49.34 77.99 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.222 -0.924 . . . . 0.0 109.447 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 29' ' ' LEU . 2.2 mm? -60.64 -37.99 83.35 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.226 -0.921 . . . . 0.0 109.39 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.9 tp10 -60.52 -31.84 70.9 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.241 -0.912 . . . . 0.0 109.269 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -76.6 -37.64 56.12 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.259 -0.9 . . . . 0.0 109.482 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.56 ' O ' ' O ' ' A' ' 33' ' ' SER . . . 126.41 17.5 2.39 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.56 ' O ' ' O ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -34.51 156.73 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.22 -1.165 . . . . 0.0 109.596 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -125.37 86.69 56.74 Favored Pre-proline 0 N--CA 1.49 1.547 0 O-C-N 121.183 -0.948 . . . . 0.0 109.593 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -52.67 -27.1 32.07 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.85 2.367 . . . . 0.0 112.286 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -65.37 -22.46 66.8 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.227 -0.92 . . . . 0.0 109.511 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.556 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -88.07 18.2 4.45 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.223 -0.923 . . . . 0.0 109.616 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.556 ' O ' ' O ' ' A' ' 37' ' ' ALA . 0.6 OUTLIER 56.25 150.85 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.135 -0.978 . . . . 0.0 109.473 179.846 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -128.37 152.69 47.88 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.331 -0.856 . . . . 0.0 109.326 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.437 ' O ' HD13 ' A' ' 41' ' ' ILE . 1.2 pm0 -107.59 146.72 31.55 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.225 -0.922 . . . . 0.0 109.603 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.437 HD13 ' O ' ' A' ' 40' ' ' GLU . 2.0 mm -122.43 145.38 29.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.309 -0.869 . . . . 0.0 109.203 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -120.3 111.3 17.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.169 -0.957 . . . . 0.0 109.606 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -100.21 142.33 31.84 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.204 -0.935 . . . . 0.0 109.461 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.431 ' CD2' ' N ' ' A' ' 44' ' ' HIS . 1.0 OUTLIER -121.45 124.59 44.83 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.258 -0.901 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 2.7 mp -131.01 148.12 52.71 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.224 -0.922 . . . . 0.0 109.484 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.534 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -132.9 155.83 48.33 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.24 -0.913 . . . . 0.0 109.745 -179.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.04 179.3 5.96 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.329 -0.857 . . . . 0.0 109.483 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -116.9 -21.09 9.13 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.263 -0.898 . . . . 0.0 109.276 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.643 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.4 t0 -127.01 109.89 12.38 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.352 -0.842 . . . . 0.0 109.228 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' A' ' 49' ' ' ASP . 17.9 t80 -41.15 -17.65 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.24 -0.913 . . . . 0.0 109.748 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.643 ' N ' ' O ' ' A' ' 49' ' ' ASP . 5.9 t70 -65.81 -77.5 0.06 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.169 -0.957 . . . . 0.0 109.636 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.531 ' HE2' ' H ' ' A' ' 49' ' ' ASP . 32.3 pttt -53.18 -32.61 48.79 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.195 -0.94 . . . . 0.0 109.393 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.68 ' C ' HD23 ' A' ' 53' ' ' LEU . 6.1 tt -51.48 -55.89 16.36 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.391 -0.818 . . . . 0.0 109.667 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.633 ' O ' HG23 ' A' ' 58' ' ' VAL . 18.2 tt0 -63.88 -53.03 56.87 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.211 -0.931 . . . . 0.0 109.547 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.42 ' HB3' ' CE1' ' A' ' 111' ' ' PHE . 7.6 mtpp -44.48 -47.85 10.03 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.206 -0.934 . . . . 0.0 109.705 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.515 ' O ' ' C ' ' A' ' 57' ' ' ALA . . . -72.0 -61.07 1.92 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.153 -0.967 . . . . 0.0 109.607 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 56' ' ' ALA . . . -35.59 -52.35 0.67 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.36 -0.837 . . . . 0.0 109.571 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 54' ' ' GLU . 14.6 t -59.01 -54.15 38.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.268 -0.895 . . . . 0.0 109.455 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -49.09 -41.29 35.05 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.239 -0.913 . . . . 0.0 109.351 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.3 -35.64 76.2 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.244 -0.91 . . . . 0.0 109.234 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -61.79 -52.29 64.81 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.287 -0.883 . . . . 0.0 109.298 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -55.59 -39.18 70.38 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.24 -0.912 . . . . 0.0 109.236 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 31.2 ttm -51.96 -57.63 8.87 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.265 -0.897 . . . . 0.0 109.385 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.656 ' O ' ' SD ' ' A' ' 88' ' ' MET . . . 149.6 31.9 0.05 OUTLIER Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.691 ' CD1' ' SD ' ' A' ' 88' ' ' MET . 10.2 m-85 -117.38 137.78 52.24 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.214 -1.168 . . . . 0.0 109.466 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.447 ' OE1' ' O ' ' A' ' 67' ' ' VAL . 1.3 tm-20 -82.08 84.01 7.14 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.178 -0.951 . . . . 0.0 109.362 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.55 HG22 ' N ' ' A' ' 68' ' ' LEU . 14.7 p -54.67 164.81 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.238 -0.914 . . . . 0.0 109.528 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.605 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -144.19 132.59 22.03 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.299 -0.875 . . . . 0.0 109.363 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.569 ' O ' ' O ' ' A' ' 68' ' ' LEU . 4.6 pt-20 -39.02 165.33 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.297 -0.877 . . . . 0.0 109.767 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.509 ' HB1' ' N ' ' A' ' 83' ' ' CYS . . . -116.71 158.94 23.01 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.362 -0.836 . . . . 0.0 109.426 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.472 ' N ' ' CD ' ' A' ' 71' ' ' GLU . 1.9 pm0 -118.22 147.43 43.41 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.284 -0.885 . . . . 0.0 109.455 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -64.38 114.69 4.46 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.2 -0.937 . . . . 0.0 109.629 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.498 ' OG1' ' N ' ' A' ' 74' ' ' GLU . 4.8 t -117.67 -139.69 0.36 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.23 -0.919 . . . . 0.0 109.377 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.498 ' N ' ' OG1' ' A' ' 73' ' ' THR . 6.3 pt-20 178.78 128.56 0.07 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.253 -0.904 . . . . 0.0 109.554 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.499 ' C ' ' H ' ' A' ' 77' ' ' ASP . 0.4 OUTLIER -63.23 -178.03 0.22 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.215 -0.928 . . . . 0.0 109.426 179.904 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.483 ' C ' ' OD1' ' A' ' 77' ' ' ASP . 56.0 mm-40 -73.44 29.91 0.07 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.214 -0.928 . . . . 0.0 109.465 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.499 ' H ' ' C ' ' A' ' 75' ' ' ASP . 0.9 OUTLIER -145.48 -35.26 0.31 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.283 -0.886 . . . . 0.0 109.497 179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 112.4 65.77 0.49 Allowed Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.589 -1.405 . . . . 0.0 109.589 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -108.57 -10.8 15.2 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.258 -1.142 . . . . 0.0 109.434 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 17.2 mttt 54.06 100.44 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.331 -0.856 . . . . 0.0 109.745 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.94 153.96 45.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.258 -0.901 . . . . 0.0 109.457 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.65 136.39 33.06 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.251 -0.906 . . . . 0.0 109.669 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.509 ' N ' ' HB1' ' A' ' 70' ' ' ALA . 17.7 p -128.21 107.88 10.15 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.327 -0.858 . . . . 0.0 109.625 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 2.2 p90 -94.0 165.52 12.61 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.221 -0.924 . . . . 0.0 109.426 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.605 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -121.74 156.96 32.01 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.218 -0.926 . . . . 0.0 109.795 -179.726 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -142.14 137.47 30.93 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.373 -0.83 . . . . 0.0 109.276 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -109.82 157.77 18.84 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.145 -0.972 . . . . 0.0 109.639 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.691 ' SD ' ' CD1' ' A' ' 65' ' ' PHE . 8.5 tpt -155.68 115.72 3.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.229 -0.919 . . . . 0.0 109.481 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -77.99 137.18 38.16 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.231 -0.918 . . . . 0.0 109.452 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.23 156.18 6.87 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.248 -0.908 . . . . 0.0 109.541 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.52 170.73 2.3 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.271 -0.893 . . . . 0.0 109.571 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 59.9 tp -92.33 92.18 8.03 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.298 -0.876 . . . . 0.0 109.538 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -153.26 126.28 8.44 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.329 -0.857 . . . . 0.0 109.374 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.53 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -49.21 -62.04 1.75 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.259 -0.901 . . . . 0.0 109.644 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.53 ' C ' ' O ' ' A' ' 94' ' ' ALA . 4.9 mtpt -34.95 -47.82 0.37 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.247 -0.908 . . . . 0.0 109.662 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 98' ' ' ASP . 8.4 mp -63.35 -69.89 0.24 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.193 -0.942 . . . . 0.0 109.586 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 96' ' ' LEU . 31.4 mt -41.75 -22.77 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.239 -0.913 . . . . 0.0 109.242 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -75.29 -45.69 38.21 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.419 -0.8 . . . . 0.0 109.301 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 96' ' ' LEU . 1.0 OUTLIER -65.21 -45.2 85.72 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.335 -0.853 . . . . 0.0 109.437 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -60.14 -61.36 2.66 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.29 -0.881 . . . . 0.0 109.526 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.6 HG13 ' CZ ' ' A' ' 115' ' ' TYR . 89.0 t -55.12 -47.38 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.211 -0.931 . . . . 0.0 109.549 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.416 ' C ' ' OE1' ' A' ' 102' ' ' GLU . 0.2 OUTLIER -50.04 -35.07 23.56 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.144 -0.973 . . . . 0.0 109.132 179.798 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -56.3 7.82 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.288 -0.883 . . . . 0.0 109.067 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 97.7 mt -55.21 -22.74 18.92 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.371 -0.83 . . . . 0.0 109.414 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.5 t -73.97 -52.6 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.271 -0.893 . . . . 0.0 109.528 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -63.0 -39.98 96.39 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.234 -0.916 . . . . 0.0 109.594 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 108' ' ' ALA . 14.9 tp -65.95 -55.78 15.08 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.245 -0.909 . . . . 0.0 109.52 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.429 ' HB1' HG13 ' A' ' 113' ' ' ILE . . . -44.11 -54.97 5.09 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.233 -0.917 . . . . 0.0 109.716 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -67.48 -28.57 67.96 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.274 -0.891 . . . . 0.0 109.756 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -57.96 -32.71 68.11 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.202 -0.936 . . . . 0.0 109.473 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 15.2 m-85 -101.1 -74.89 0.6 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -0.907 . . . . 0.0 109.477 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.6 OUTLIER 166.9 32.72 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.195 -0.941 . . . . 0.0 109.683 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.429 HG13 ' HB1' ' A' ' 108' ' ' ALA . 32.2 pt -116.99 166.22 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.187 -0.945 . . . . 0.0 109.397 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -112.75 136.77 47.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.22 -0.925 . . . . 0.0 109.793 -179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.6 ' CZ ' HG13 ' A' ' 101' ' ' VAL . 0.6 OUTLIER -103.42 108.59 19.9 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.294 -0.879 . . . . 0.0 108.797 179.352 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 116' ' ' ASP . 2.2 t0 -150.0 82.53 1.38 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.13 -0.982 . . . . 0.0 109.692 -179.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 161.14 87.97 0.07 OUTLIER Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.993 -1.243 . . . . 0.0 109.993 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 2.4 p-90 -128.59 138.02 52.0 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.231 -1.158 . . . . 0.0 109.14 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -153.65 165.42 31.5 Favored Glycine 0 N--CA 1.492 2.371 0 N-CA-C 109.845 -1.302 . . . . 0.0 109.845 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.8 t -120.91 158.89 26.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.25 -1.147 . . . . 0.0 109.44 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -93.27 129.91 39.18 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.173 -0.954 . . . . 0.0 109.406 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -69.2 121.37 16.65 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.198 -0.939 . . . . 0.0 109.4 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -80.12 71.44 6.87 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.159 -0.963 . . . . 0.0 109.449 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 174.69 66.96 0.05 OUTLIER Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.478 -1.449 . . . . 0.0 109.478 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 22.6 mt -133.17 77.59 1.74 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.237 -1.155 . . . . 0.0 109.56 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -122.43 173.21 7.8 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.241 -0.912 . . . . 0.0 109.315 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.536 ' O ' ' O ' ' A' ' 128' ' ' HIS . 0.1 OUTLIER -67.04 89.2 0.17 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.148 -0.97 . . . . 0.0 109.536 -179.857 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.536 ' O ' ' O ' ' A' ' 127' ' ' HIS . 31.7 m-70 47.04 -179.45 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.239 -0.913 . . . . 0.0 109.606 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 -83.77 -82.18 0.16 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.214 -0.929 . . . . 0.0 109.457 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -178.18 49.14 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.258 -0.901 . . . . 0.0 109.39 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -156.67 -45.6 0.07 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.386 -0.821 . . . . 0.0 109.332 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 . . . . . 0 N--CA 1.49 1.525 0 CA-C-O 118.023 -0.989 . . . . 0.0 109.553 179.888 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.9 mtp . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.2 m -116.55 76.49 1.03 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.252 -0.905 . . . . 0.0 109.498 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.479 ' ND1' ' N ' ' A' ' 3' ' ' HIS . 1.8 m80 -104.02 110.77 23.05 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.281 -0.887 . . . . 0.0 109.464 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 3' ' ' HIS . 6.3 tt0 -44.98 139.21 3.24 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.28 -0.887 . . . . 0.0 109.463 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -146.35 146.45 30.67 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.203 -0.935 . . . . 0.0 109.315 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -123.97 109.77 13.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.221 -0.924 . . . . 0.0 109.624 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -129.87 60.68 1.59 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.248 -0.907 . . . . 0.0 109.356 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 tt -118.59 108.19 14.65 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.16 -0.962 . . . . 0.0 109.382 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 m -106.91 141.51 38.01 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.312 -0.867 . . . . 0.0 109.709 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 7.6 t -82.25 -20.27 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.248 -0.907 . . . . 0.0 109.43 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.4 tm-20 -82.1 -49.92 9.64 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.249 -0.907 . . . . 0.0 109.739 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.606 ' CG ' ' N ' ' A' ' 13' ' ' LEU . 6.3 pt-20 -53.24 -47.12 69.3 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.158 -0.964 . . . . 0.0 109.544 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.606 ' N ' ' CG ' ' A' ' 12' ' ' GLU . 84.7 mt -58.12 -44.55 87.8 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.225 -0.922 . . . . 0.0 109.522 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 62.0 mt -63.55 -38.83 83.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.262 -0.898 . . . . 0.0 109.568 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 18' ' ' LYS . 7.2 tm-20 -64.42 -67.09 0.46 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.327 -0.858 . . . . 0.0 109.548 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.469 ' C ' ' O ' ' A' ' 15' ' ' GLU . 11.3 mt -41.53 -66.94 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.275 -0.891 . . . . 0.0 109.329 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 16' ' ' ILE . 1.3 mt-30 -44.6 -31.51 1.16 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.203 -0.936 . . . . 0.0 109.131 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.497 ' CB ' ' O ' ' A' ' 15' ' ' GLU . 4.3 ttmm -57.88 -53.79 54.2 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.261 -0.899 . . . . 0.0 109.055 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.523 ' O ' ' C ' ' A' ' 20' ' ' GLU . 12.2 mm-40 -73.45 -61.47 1.82 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.246 -0.909 . . . . 0.0 109.307 179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.523 ' C ' ' O ' ' A' ' 19' ' ' GLU . 2.8 tt0 -36.88 -55.38 0.91 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.327 -0.858 . . . . 0.0 109.374 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.7 m -53.15 -59.86 4.01 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.234 -0.916 . . . . 0.0 109.319 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -44.98 -40.6 6.57 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.127 -0.983 . . . . 0.0 109.446 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -55.8 -49.0 74.41 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.278 -0.889 . . . . 0.0 109.741 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 26' ' ' GLN . 78.6 mt -64.93 -68.26 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.173 -0.954 . . . . 0.0 109.735 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.512 ' C ' ' O ' ' A' ' 24' ' ' ILE . 5.8 mm -36.96 -31.5 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.61 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.523 ' N ' ' O ' ' A' ' 24' ' ' ILE . 8.2 mm-40 -72.69 -45.43 58.89 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.215 -0.928 . . . . 0.0 109.733 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . -70.87 -33.9 71.07 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.197 -0.939 . . . . 0.0 109.684 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.97 -56.02 8.08 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.272 -0.893 . . . . 0.0 109.488 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -54.05 -55.57 26.18 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.269 -0.895 . . . . 0.0 109.258 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -46.59 -43.83 17.6 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.175 -0.953 . . . . 0.0 109.077 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.25 -26.96 13.15 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.217 -0.927 . . . . 0.0 109.312 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 33' ' ' SER . . . 106.64 25.54 6.22 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.586 -1.406 . . . . 0.0 109.586 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.433 ' C ' ' OD1' ' A' ' 34' ' ' ASP . 2.0 p -53.13 -175.05 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.233 -1.157 . . . . 0.0 109.59 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.433 ' OD1' ' C ' ' A' ' 33' ' ' SER . 0.8 OUTLIER -136.31 91.61 16.44 Favored Pre-proline 0 N--CA 1.492 1.641 0 O-C-N 121.29 -0.881 . . . . 0.0 109.391 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.41 ' C ' ' H ' ' A' ' 37' ' ' ALA . 19.5 Cg_exo -61.69 -30.7 85.66 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.776 2.318 . . . . 0.0 112.372 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.36 0.46 1.46 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.247 -0.908 . . . . 0.0 109.667 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.453 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -110.56 22.94 14.85 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.14 -0.975 . . . . 0.0 109.428 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.453 ' O ' ' O ' ' A' ' 37' ' ' ALA . 4.1 mm? 55.0 167.29 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.183 -0.948 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.573 ' CD2' HD13 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -140.56 151.64 44.88 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.272 -0.892 . . . . 0.0 109.638 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -104.91 124.04 48.79 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.291 -0.881 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.0 mm -98.0 139.89 19.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.197 -0.939 . . . . 0.0 109.325 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -116.83 113.61 22.75 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.348 -0.845 . . . . 0.0 109.444 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.411 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 98.4 m-70 -104.26 140.57 37.67 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.224 -0.922 . . . . 0.0 109.742 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.512 ' NE2' ' OD2' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -118.84 112.37 19.6 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.343 -0.848 . . . . 0.0 109.253 179.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 3.6 mp -123.9 146.39 48.46 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.236 -0.915 . . . . 0.0 109.598 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.646 ' CD1' ' N ' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -132.26 167.35 19.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.267 -0.896 . . . . 0.0 109.777 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.66 ' HB2' HG22 ' A' ' 113' ' ' ILE . . . -154.11 172.32 17.72 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.35 -0.844 . . . . 0.0 109.442 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -109.55 -27.43 9.41 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.212 -0.93 . . . . 0.0 109.547 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.1 m-20 -106.48 100.95 10.44 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.192 -0.943 . . . . 0.0 109.343 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -46.5 -15.76 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.205 -0.934 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.566 ' N ' ' CD1' ' A' ' 50' ' ' PHE . 1.7 m-20 -68.0 -63.15 1.12 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.291 -0.88 . . . . 0.0 109.021 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.443 ' HE2' ' H ' ' A' ' 49' ' ' ASP . 8.0 pttt -65.23 -29.29 70.07 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.31 -0.868 . . . . 0.0 109.144 179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.527 HD21 ' CD1' ' A' ' 84' ' ' PHE . 5.3 tt -60.78 -51.08 70.87 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.279 -0.888 . . . . 0.0 109.144 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -61.43 -49.68 75.86 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.333 -0.854 . . . . 0.0 109.414 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.55 -57.63 8.54 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.361 -0.837 . . . . 0.0 109.615 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.26 -49.78 71.17 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.243 -0.91 . . . . 0.0 109.482 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.485 ' HB1' HG21 ' A' ' 67' ' ' VAL . . . -52.06 -60.11 3.57 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.317 -0.864 . . . . 0.0 109.559 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 57' ' ' ALA . 80.1 t -42.89 -59.65 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.214 -0.929 . . . . 0.0 109.562 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.617 ' N ' ' OE1' ' A' ' 59' ' ' GLU . 2.4 mp0 -49.58 -38.96 33.48 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.126 -0.984 . . . . 0.0 109.441 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.36 -33.54 74.46 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.284 -0.885 . . . . 0.0 109.731 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -69.92 -51.78 30.09 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.192 -0.943 . . . . 0.0 109.463 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.0 tttp -66.0 -41.91 90.45 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.31 -0.868 . . . . 0.0 109.546 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.0 ttp -51.61 -65.78 0.5 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.181 -0.949 . . . . 0.0 109.378 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 165.45 27.29 0.02 OUTLIER Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -115.67 135.33 54.16 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.172 -1.193 . . . . 0.0 109.462 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 67' ' ' VAL . 9.4 mt-10 -84.34 75.86 10.18 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.294 -0.879 . . . . 0.0 109.481 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.485 HG21 ' HB1' ' A' ' 57' ' ' ALA . 2.7 p -43.84 149.05 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.25 -0.906 . . . . 0.0 109.658 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 85' ' ' ASP . 3.1 tp -126.1 137.09 53.58 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.372 -0.83 . . . . 0.0 109.217 179.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 68' ' ' LEU . 19.6 pt-20 -40.89 158.47 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.18 -0.95 . . . . 0.0 109.618 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -110.85 173.31 6.39 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.271 -0.893 . . . . 0.0 110.038 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.468 ' HG3' ' SG ' ' A' ' 83' ' ' CYS . 1.9 pt-20 -136.43 154.44 50.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.416 -0.803 . . . . 0.0 109.061 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -71.82 127.49 32.74 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.122 -0.986 . . . . 0.0 109.586 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.625 ' OG1' ' N ' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -120.66 -172.81 2.45 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.255 -0.903 . . . . 0.0 109.653 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.625 ' N ' ' OG1' ' A' ' 73' ' ' THR . 8.9 pt-20 -169.69 139.8 2.06 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.355 -0.84 . . . . 0.0 109.278 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -116.7 -66.25 1.1 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.107 -0.996 . . . . 0.0 109.702 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -54.17 -49.88 68.29 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.361 -0.837 . . . . 0.0 110.004 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 171.35 -13.76 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.177 -0.952 . . . . 0.0 109.227 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -166.16 20.78 0.11 Allowed Glycine 0 N--CA 1.489 2.19 0 N-CA-C 109.882 -1.287 . . . . 0.0 109.882 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.34 88.02 0.45 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.07 -1.253 . . . . 0.0 109.102 179.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -59.59 96.31 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.31 -0.869 . . . . 0.0 109.683 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.495 ' HB2' HG23 ' A' ' 73' ' ' THR . 8.1 mt -114.66 163.43 15.45 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.279 -0.888 . . . . 0.0 109.356 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 82' ' ' LEU . 5.1 mp -115.5 137.17 52.33 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.259 -0.901 . . . . 0.0 109.095 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.468 ' SG ' ' HG3' ' A' ' 71' ' ' GLU . 4.7 p -132.5 105.15 7.07 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.134 -0.979 . . . . 0.0 110.156 -179.548 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.527 ' CD1' HD21 ' A' ' 53' ' ' LEU . 15.8 p90 -95.87 158.72 15.32 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.234 -0.916 . . . . 0.0 108.907 179.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.512 ' OD2' ' NE2' ' A' ' 44' ' ' HIS . 0.4 OUTLIER -111.94 171.64 7.38 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.132 -0.98 . . . . 0.0 109.661 -179.815 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.411 ' HB3' ' HB2' ' A' ' 43' ' ' HIS . . . -150.19 119.86 7.02 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.216 -0.928 . . . . 0.0 109.465 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.99 147.94 25.6 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.247 -0.908 . . . . 0.0 109.659 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 11.9 ttm -147.52 153.71 39.83 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.34 -0.85 . . . . 0.0 109.189 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -107.0 132.04 53.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.274 -0.891 . . . . 0.0 109.193 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 80.4 p -166.76 148.65 6.29 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.216 -0.927 . . . . 0.0 109.555 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.99 153.71 20.73 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.25 -0.906 . . . . 0.0 109.43 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.573 HD13 ' CD2' ' A' ' 39' ' ' TYR . 14.6 tp -78.15 89.12 4.24 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.223 -0.923 . . . . 0.0 109.383 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -143.12 118.65 10.36 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.201 -0.937 . . . . 0.0 109.495 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -48.5 -50.22 32.6 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.286 -0.884 . . . . 0.0 109.546 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -48.97 -44.55 40.98 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.24 -0.913 . . . . 0.0 109.538 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.13 -45.01 74.77 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.268 -0.895 . . . . 0.0 109.61 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.606 ' O ' HG23 ' A' ' 101' ' ' VAL . 29.4 mt -57.72 -29.6 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.183 -0.948 . . . . 0.0 109.604 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -72.76 -47.27 48.23 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.254 -0.904 . . . . 0.0 109.452 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.4 -45.4 93.32 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.246 -0.909 . . . . 0.0 109.516 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.09 -58.78 6.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.235 -0.915 . . . . 0.0 109.326 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 97' ' ' ILE . 96.4 t -51.23 -39.28 20.56 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.224 -0.922 . . . . 0.0 109.118 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -54.1 -44.28 71.11 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.252 -0.905 . . . . 0.0 109.334 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -64.72 -43.94 91.79 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.209 -0.932 . . . . 0.0 109.306 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 104' ' ' LEU . 57.3 mt -62.75 -28.36 69.92 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.137 -0.977 . . . . 0.0 109.329 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 6.8 t -74.6 -49.05 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.235 -0.916 . . . . 0.0 109.568 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -61.22 -52.41 64.89 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.266 -0.896 . . . . 0.0 109.671 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.487 ' O ' ' C ' ' A' ' 108' ' ' ALA . 1.1 tt -60.6 -57.99 10.38 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.17 -0.956 . . . . 0.0 109.661 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.487 ' C ' ' O ' ' A' ' 107' ' ' LEU . . . -38.74 -54.8 1.56 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.234 -0.916 . . . . 0.0 109.441 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -65.93 -33.02 74.88 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.339 -0.851 . . . . 0.0 109.537 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.481 ' N ' ' O ' ' A' ' 107' ' ' LEU . 3.3 tptm -50.38 -36.73 33.88 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.294 -0.879 . . . . 0.0 109.459 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.473 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 65.8 m-85 -98.02 -77.26 0.51 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.233 -0.917 . . . . 0.0 109.694 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 1.1 m-20 167.22 31.21 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.231 -0.918 . . . . 0.0 109.587 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.66 HG22 ' HB2' ' A' ' 47' ' ' ALA . 22.5 pt -111.08 137.12 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.179 -0.951 . . . . 0.0 109.467 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.753 HD12 ' N ' ' A' ' 115' ' ' TYR . 0.1 OUTLIER -84.42 125.97 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.242 -0.911 . . . . 0.0 109.316 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.753 ' N ' HD12 ' A' ' 114' ' ' ILE . 8.6 t80 -95.03 111.73 23.51 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.194 -0.941 . . . . 0.0 109.635 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' A' ' 116' ' ' ASP . 4.2 t70 -156.46 84.15 0.98 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.218 -0.926 . . . . 0.0 109.443 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 159.65 92.29 0.09 OUTLIER Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.955 -1.258 . . . . 0.0 109.955 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.685 ' O ' ' CG ' ' A' ' 118' ' ' TRP . 3.1 p-90 -134.4 112.93 11.37 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.194 -1.18 . . . . 0.0 109.178 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -128.95 161.19 22.52 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.692 -1.363 . . . . 0.0 109.692 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.16 164.62 13.62 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.258 -1.142 . . . . 0.0 109.509 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.532 ' O ' ' C ' ' A' ' 122' ' ' TYR . 0.4 OUTLIER -137.87 124.8 21.29 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.347 -0.846 . . . . 0.0 109.243 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.532 ' C ' ' O ' ' A' ' 121' ' ' TYR . 11.3 m-85 -37.28 146.66 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.219 -0.926 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.62 ' CD ' ' H ' ' A' ' 123' ' ' GLU . 1.1 mp0 -85.99 63.35 7.98 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.261 -0.899 . . . . 0.0 109.508 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 141.89 149.4 5.19 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.65 -1.38 . . . . 0.0 109.65 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -145.12 89.6 1.97 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.292 -1.122 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.402 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 1.4 pt-20 -128.68 -179.68 5.2 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.31 -0.868 . . . . 0.0 109.391 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.659 ' ND1' ' O ' ' A' ' 127' ' ' HIS . 1.4 t-80 -119.06 42.77 2.74 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.252 -0.905 . . . . 0.0 109.423 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.81 139.0 27.47 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.198 -0.939 . . . . 0.0 109.422 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -134.09 69.24 1.47 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.261 -0.9 . . . . 0.0 109.58 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.419 ' O ' ' CG ' ' A' ' 130' ' ' HIS . 22.8 t-160 -90.02 58.09 4.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.233 -0.917 . . . . 0.0 109.274 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.551 ' O ' ' O ' ' A' ' 132' ' ' HIS . 1.8 t60 -155.33 47.22 0.52 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.331 -0.856 . . . . 0.0 109.561 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.551 ' O ' ' O ' ' A' ' 131' ' ' HIS . 6.7 t-80 . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 118.097 -0.954 . . . . 0.0 109.473 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 mpp? . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 p -70.09 -70.37 0.3 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.236 -0.915 . . . . 0.0 109.584 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.707 ' ND1' ' N ' ' A' ' 3' ' ' HIS . 0.0 OUTLIER -156.85 -173.71 4.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.304 -0.872 . . . . 0.0 109.542 -179.861 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.559 ' O ' ' OD1' ' A' ' 5' ' ' ASP . 11.3 mt-30 55.22 -88.35 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.292 -0.88 . . . . 0.0 109.47 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.559 ' OD1' ' O ' ' A' ' 4' ' ' GLN . 0.1 OUTLIER 169.39 -27.16 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.329 -0.857 . . . . 0.0 109.263 -179.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.492 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 0.5 OUTLIER -52.22 116.8 2.4 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.282 -0.886 . . . . 0.0 109.373 179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -95.53 118.08 31.58 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.134 -0.979 . . . . 0.0 109.46 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 mt -96.35 147.15 24.1 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.279 -0.888 . . . . 0.0 109.469 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.673 ' O ' ' N ' ' A' ' 11' ' ' GLU . 28.3 m -83.61 76.53 9.96 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.255 -0.903 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' A' ' 9' ' ' SER . 1.7 m -39.5 -18.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.266 -0.896 . . . . 0.0 109.526 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.673 ' N ' ' O ' ' A' ' 9' ' ' SER . 4.7 tt0 -76.07 -55.82 5.24 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.238 -0.914 . . . . 0.0 109.688 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.488 ' HG2' ' N ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -46.41 -44.44 17.18 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.167 -0.958 . . . . 0.0 109.349 -179.812 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.488 ' N ' ' HG2' ' A' ' 12' ' ' GLU . 62.4 mt -56.27 -41.22 75.49 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.257 -0.902 . . . . 0.0 109.303 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.1 mt -67.1 -42.89 88.89 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.3 -0.875 . . . . 0.0 109.306 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -57.57 -52.35 65.75 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.32 -0.862 . . . . 0.0 109.268 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 62.7 mt -56.92 -60.72 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.231 -0.918 . . . . 0.0 109.401 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.432 ' OE1' ' CD1' ' A' ' 118' ' ' TRP . 30.4 mm-40 -48.45 -36.12 14.29 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.283 -0.886 . . . . 0.0 109.444 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.531 ' NZ ' ' OD2' ' A' ' 98' ' ' ASP . 5.8 ttmm -57.84 -51.69 68.57 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.283 -0.885 . . . . 0.0 109.443 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.525 ' O ' ' C ' ' A' ' 20' ' ' GLU . 2.4 tp10 -63.78 -60.6 3.09 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.344 -0.848 . . . . 0.0 109.623 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.525 ' C ' ' O ' ' A' ' 19' ' ' GLU . 0.3 OUTLIER -36.36 -70.89 0.08 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.248 -0.908 . . . . 0.0 109.694 -179.821 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' GLU . 42.4 m -42.74 -51.78 5.22 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.209 -0.932 . . . . 0.0 109.601 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.722 ' CG ' HH11 ' A' ' 22' ' ' ARG . 0.0 OUTLIER -47.19 -56.4 6.74 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.065 -1.022 . . . . 0.0 109.835 -179.674 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.514 ' OD1' ' C ' ' A' ' 23' ' ' ASP . 0.3 OUTLIER -53.76 -31.36 48.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.155 -0.966 . . . . 0.0 109.345 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' ILE . 43.1 mt -75.89 -71.22 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.32 -0.862 . . . . 0.0 109.256 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 24' ' ' ILE . 12.2 mm -42.12 -29.47 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.256 -0.902 . . . . 0.0 109.262 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.637 ' O ' ' NE2' ' A' ' 26' ' ' GLN . 12.3 tp60 -73.61 -48.56 31.66 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.343 -0.848 . . . . 0.0 109.322 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.41 -29.44 69.6 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.204 -0.935 . . . . 0.0 109.32 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.431 ' HA ' HD23 ' A' ' 28' ' ' LEU . 70.7 mt -71.72 -61.53 1.75 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.265 -0.897 . . . . 0.0 109.276 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.14 -29.89 24.06 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.265 -0.897 . . . . 0.0 109.185 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -78.8 -34.24 45.56 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.294 -0.879 . . . . 0.0 109.362 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -68.56 -29.61 68.2 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.287 -0.883 . . . . 0.0 109.423 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.518 ' O ' ' O ' ' A' ' 33' ' ' SER . . . 132.46 5.46 3.28 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.518 ' O ' ' O ' ' A' ' 32' ' ' GLY . 0.4 OUTLIER -40.83 164.71 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.271 -1.135 . . . . 0.0 109.348 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -142.6 95.88 6.34 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.134 -0.979 . . . . 0.0 109.735 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -54.26 -14.67 6.92 Favored 'Trans proline' 0 C--N 1.309 -1.535 0 C-N-CA 122.564 2.176 . . . . 0.0 111.995 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.89 20.74 2.49 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.217 -0.927 . . . . 0.0 109.432 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -130.7 6.91 4.76 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.227 -0.921 . . . . 0.0 109.407 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 mt 60.57 157.46 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.209 -0.932 . . . . 0.0 109.714 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -137.62 162.56 33.47 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.208 -0.933 . . . . 0.0 109.403 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -112.95 111.24 21.85 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.23 -0.918 . . . . 0.0 109.46 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.9 mm -83.04 153.64 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.301 -0.874 . . . . 0.0 109.502 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.441 ' C ' ' CD ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -135.25 105.61 6.37 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.341 -0.849 . . . . 0.0 109.287 179.838 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -100.25 146.42 26.92 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.232 -0.918 . . . . 0.0 109.615 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -118.36 132.0 56.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.303 -0.873 . . . . 0.0 109.219 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 2.2 mp -133.23 149.51 51.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.097 -1.002 . . . . 0.0 109.795 -179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.591 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -135.58 158.96 43.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.262 -0.898 . . . . 0.0 109.61 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.718 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -151.87 -179.98 7.93 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.288 -0.883 . . . . 0.0 109.663 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -115.76 -36.61 4.14 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.286 -0.884 . . . . 0.0 109.384 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.422 ' H ' ' HE3' ' A' ' 52' ' ' LYS . 7.3 t0 -108.0 115.12 29.55 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.279 -0.888 . . . . 0.0 109.492 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -52.75 -12.04 0.27 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.219 -0.926 . . . . 0.0 109.496 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.419 ' N ' ' C ' ' A' ' 49' ' ' ASP . 23.6 t70 -67.19 -71.66 0.19 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.202 -0.936 . . . . 0.0 109.489 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.422 ' HE3' ' H ' ' A' ' 49' ' ' ASP . 6.2 pttt -57.56 -36.99 72.37 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.253 -0.905 . . . . 0.0 109.507 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.718 HD12 ' HB3' ' A' ' 47' ' ' ALA . 6.5 tt -58.26 -52.68 64.58 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.242 -0.911 . . . . 0.0 109.812 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.43 ' O ' HG23 ' A' ' 58' ' ' VAL . 24.2 tt0 -55.16 -56.62 17.86 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.27 -0.894 . . . . 0.0 109.879 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -50.06 -59.65 3.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.171 -0.956 . . . . 0.0 109.885 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.79 -36.31 58.0 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.343 -0.848 . . . . 0.0 109.948 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.17 -43.53 98.62 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.223 -0.923 . . . . 0.0 109.777 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 54' ' ' GLU . 14.9 t -62.17 -49.21 84.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.14 -0.975 . . . . 0.0 109.917 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.24 -33.44 65.41 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.183 -0.948 . . . . 0.0 109.796 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.54 -64.6 0.82 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.185 -0.947 . . . . 0.0 109.59 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -51.89 -39.31 58.83 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.165 -0.96 . . . . 0.0 109.547 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.5 ttmm -53.8 -54.35 39.57 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.236 -0.915 . . . . 0.0 109.458 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 10.2 mtt -51.31 -44.25 61.88 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.261 -0.899 . . . . 0.0 109.484 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.52 28.77 0.09 OUTLIER Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.435 -1.466 . . . . 0.0 109.435 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.728 ' CZ ' ' SD ' ' A' ' 88' ' ' MET . 39.9 m-85 -102.75 169.3 8.7 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.225 -1.162 . . . . 0.0 109.424 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -118.65 84.78 2.24 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.271 -0.893 . . . . 0.0 109.321 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.16 141.93 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.314 -0.866 . . . . 0.0 109.585 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.677 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -119.79 149.09 42.62 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.273 -0.892 . . . . 0.0 109.35 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -48.89 156.87 0.45 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.221 -0.925 . . . . 0.0 109.564 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.453 ' CB ' ' O ' ' A' ' 83' ' ' CYS . . . -108.74 179.45 4.18 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.311 -0.868 . . . . 0.0 109.665 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -147.06 132.88 19.0 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.353 -0.842 . . . . 0.0 109.439 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.85 119.56 3.62 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.293 -0.88 . . . . 0.0 109.524 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.9 t -147.84 -170.02 3.47 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.24 -0.912 . . . . 0.0 109.549 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -151.05 152.66 33.77 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.388 -0.82 . . . . 0.0 109.264 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.571 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 0.3 OUTLIER -113.98 -132.12 0.33 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.193 -0.942 . . . . 0.0 109.781 -179.554 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.434 ' CD ' ' O ' ' A' ' 76' ' ' GLU . 0.6 OUTLIER -90.26 13.25 15.79 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.214 -0.929 . . . . 0.0 109.771 -179.668 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.672 ' N ' ' OD1' ' A' ' 77' ' ' ASP . 1.1 p-10 -103.64 -40.69 6.2 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.191 -0.943 . . . . 0.0 109.549 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 79.37 50.54 5.69 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.437 ' O ' ' O ' ' A' ' 80' ' ' LYS . 3.4 t-20 -125.41 -6.44 7.03 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.291 -1.123 . . . . 0.0 109.485 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 79' ' ' ASN . 4.5 mttt 61.89 123.04 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.159 -0.963 . . . . 0.0 109.306 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.495 ' H ' HD12 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -155.84 -165.64 2.0 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.211 -0.93 . . . . 0.0 109.55 -179.835 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.1 mp -112.85 144.88 41.65 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.182 -0.949 . . . . 0.0 109.546 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 0.3 OUTLIER -139.33 115.98 10.72 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.355 -0.84 . . . . 0.0 109.574 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.649 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.8 OUTLIER -100.16 169.3 9.25 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.34 -0.85 . . . . 0.0 109.246 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.677 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -123.85 142.13 51.4 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.261 -0.899 . . . . 0.0 109.806 -179.656 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -122.83 131.49 53.78 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.274 -0.891 . . . . 0.0 109.148 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.97 147.39 36.0 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.143 -0.973 . . . . 0.0 109.721 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.728 ' SD ' ' CZ ' ' A' ' 65' ' ' PHE . 10.6 ttt -144.8 154.42 42.67 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.335 -0.853 . . . . 0.0 109.128 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -106.84 122.15 45.82 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.017 -1.052 . . . . 0.0 109.451 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 55.7 p -138.99 167.99 20.82 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.287 -0.883 . . . . 0.0 109.478 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.538 ' O ' ' C ' ' A' ' 92' ' ' LEU . . . -88.86 43.31 1.13 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.153 -0.967 . . . . 0.0 109.378 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.538 ' C ' ' O ' ' A' ' 91' ' ' ALA . 6.5 tp 36.3 80.97 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.139 -0.975 . . . . 0.0 109.501 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.478 ' CB ' HD12 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -138.68 147.83 43.27 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.209 -0.932 . . . . 0.0 109.367 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -76.96 -51.65 10.78 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.23 -0.919 . . . . 0.0 109.451 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 32.5 tttm -54.11 -55.31 28.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.216 -0.927 . . . . 0.0 109.358 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.478 HD12 ' CB ' ' A' ' 93' ' ' ASP . 8.1 mt -59.45 -48.89 79.91 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.339 -0.85 . . . . 0.0 109.496 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 18.1 mt -55.43 -28.7 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.193 -0.942 . . . . 0.0 109.499 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.531 ' OD2' ' NZ ' ' A' ' 18' ' ' LYS . 7.8 t0 -68.1 -51.36 47.24 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.308 -0.87 . . . . 0.0 109.478 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.436 ' HG3' ' H ' ' A' ' 99' ' ' GLU . 17.3 mt-10 -55.28 -34.24 63.92 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.257 -0.902 . . . . 0.0 109.649 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 101' ' ' VAL . 16.9 mt-30 -69.94 -69.06 0.37 Allowed 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.237 -0.914 . . . . 0.0 109.652 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.504 HG13 ' OH ' ' A' ' 115' ' ' TYR . 53.0 t -43.1 -44.79 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.306 -0.871 . . . . 0.0 109.632 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -55.92 -45.35 78.75 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.155 -0.965 . . . . 0.0 109.458 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -61.44 -54.01 49.13 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.201 -0.937 . . . . 0.0 109.392 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 66.7 mt -59.42 -18.08 36.1 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.26 -0.9 . . . . 0.0 109.231 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.611 HG12 ' N ' ' A' ' 106' ' ' ASN . 2.6 t -82.42 -70.03 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.316 -0.865 . . . . 0.0 109.382 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.611 ' N ' HG12 ' A' ' 105' ' ' VAL . 12.6 m-80 -48.75 -33.5 10.4 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.16 -0.962 . . . . 0.0 109.32 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 110' ' ' LYS . 1.2 tp -74.74 -61.78 1.76 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.298 -0.876 . . . . 0.0 109.352 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.478 ' C ' ' O ' ' A' ' 107' ' ' LEU . . . -40.16 -43.25 1.61 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.221 -0.925 . . . . 0.0 109.278 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.69 -27.62 45.12 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.207 -0.933 . . . . 0.0 109.438 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.534 ' N ' ' O ' ' A' ' 107' ' ' LEU . 5.7 tptp -56.7 -33.6 66.62 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.208 -0.932 . . . . 0.0 109.366 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.483 ' O ' ' CG ' ' A' ' 112' ' ' ASP . 12.0 m-85 -99.26 -76.91 0.53 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.272 -0.893 . . . . 0.0 109.344 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.483 ' CG ' ' O ' ' A' ' 111' ' ' PHE . 0.8 OUTLIER 168.67 31.67 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.189 -0.944 . . . . 0.0 109.869 179.844 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.445 HG22 ' HB2' ' A' ' 47' ' ' ALA . 18.4 pt -113.96 146.14 18.91 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.199 -0.938 . . . . 0.0 109.078 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.495 HD12 ' N ' ' A' ' 115' ' ' TYR . 0.4 OUTLIER -97.15 114.22 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.487 0 O-C-N 121.121 -0.987 . . . . 0.0 109.988 -179.409 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.504 ' OH ' HG13 ' A' ' 101' ' ' VAL . 0.1 OUTLIER -93.72 106.64 18.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.321 -0.862 . . . . 0.0 108.838 179.566 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -146.73 85.02 1.62 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.22 -0.925 . . . . 0.0 109.583 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 157.22 92.66 0.09 OUTLIER Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.432 ' CD1' ' OE1' ' A' ' 17' ' ' GLN . 3.2 p-90 -128.83 135.72 49.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.22 -1.165 . . . . 0.0 109.428 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -154.67 145.42 12.56 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.461 -1.455 . . . . 0.0 109.461 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -94.45 172.64 8.07 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.284 -1.127 . . . . 0.0 109.492 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -112.65 133.14 54.83 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.312 -0.868 . . . . 0.0 109.307 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.63 173.32 0.06 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.204 -0.935 . . . . 0.0 109.58 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -89.69 68.02 7.51 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.252 -0.905 . . . . 0.0 109.781 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 125' ' ' LEU . . . 98.51 9.76 52.26 Favored Glycine 0 N--CA 1.492 2.381 0 N-CA-C 109.706 -1.358 . . . . 0.0 109.706 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 124' ' ' GLY . 4.2 mt 44.63 65.41 1.08 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.263 -1.14 . . . . 0.0 109.548 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -115.08 115.56 27.0 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.268 -0.895 . . . . 0.0 109.522 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.467 ' O ' ' N ' ' A' ' 129' ' ' HIS . 1.7 m-70 -87.26 85.61 7.2 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.193 -0.942 . . . . 0.0 109.391 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 127' ' ' HIS . 1.5 m170 41.11 -99.29 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.205 -0.934 . . . . 0.0 109.47 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.467 ' N ' ' O ' ' A' ' 127' ' ' HIS . 8.6 m-70 -116.62 -132.05 0.32 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.272 -0.892 . . . . 0.0 109.352 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.588 ' O ' ' CB ' ' A' ' 131' ' ' HIS . 11.0 t-160 -76.65 14.41 0.81 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.244 -0.91 . . . . 0.0 109.471 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.588 ' CB ' ' O ' ' A' ' 130' ' ' HIS . 6.7 t60 82.43 43.09 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.322 -0.862 . . . . 0.0 109.433 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 118.056 -0.973 . . . . 0.0 109.544 -179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.488 ' O ' ' C ' ' A' ' 2' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 1' ' ' MET . 0.4 OUTLIER 38.07 49.39 1.22 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.239 -0.913 . . . . 0.0 109.487 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.531 ' O ' ' C ' ' A' ' 4' ' ' GLN . 0.2 OUTLIER -118.4 67.68 0.77 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.29 -0.881 . . . . 0.0 109.374 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.531 ' C ' ' O ' ' A' ' 3' ' ' HIS . 3.9 tt0 -35.3 132.28 0.4 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.297 -0.877 . . . . 0.0 109.515 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.71 98.94 7.19 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.309 -0.87 . . . . 0.0 109.508 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -160.27 115.62 2.31 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.272 -0.893 . . . . 0.0 109.276 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.568 ' O ' ' O ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -148.85 68.72 1.06 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.211 -0.93 . . . . 0.0 109.424 -179.807 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.568 ' O ' ' O ' ' A' ' 7' ' ' TYR . 3.1 mt 55.19 153.53 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.076 -1.015 . . . . 0.0 109.397 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.629 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.5 OUTLIER -121.76 70.97 0.96 Allowed 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.177 -0.952 . . . . 0.0 109.308 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 9' ' ' SER . 16.9 t -42.89 -16.8 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.102 -0.999 . . . . 0.0 109.175 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.629 ' N ' ' O ' ' A' ' 9' ' ' SER . 10.9 tp10 -71.2 -53.44 14.41 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.298 -0.876 . . . . 0.0 109.501 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 13' ' ' LEU . 8.7 pt-20 -49.36 -37.69 25.7 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.127 -0.983 . . . . 0.0 109.379 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.455 ' N ' ' CG ' ' A' ' 12' ' ' GLU . 40.5 mt -64.86 -48.67 73.46 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.231 -0.918 . . . . 0.0 109.417 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.2 mt -58.61 -43.99 88.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.171 -0.956 . . . . 0.0 109.455 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -56.25 -66.55 0.41 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.326 -0.859 . . . . 0.0 109.483 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.3 mp -47.31 -45.01 9.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.244 -0.91 . . . . 0.0 109.343 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.554 ' NE2' HG21 ' A' ' 101' ' ' VAL . 0.0 OUTLIER -54.77 -42.95 72.34 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.225 -0.922 . . . . 0.0 109.617 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.615 ' NZ ' ' OD2' ' A' ' 98' ' ' ASP . 50.7 mttm -61.67 -37.76 85.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.149 -0.969 . . . . 0.0 109.584 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -61.87 -60.01 4.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.08 -1.013 . . . . 0.0 109.594 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.0 -34.08 8.82 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.274 -0.891 . . . . 0.0 109.389 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 22' ' ' ARG . 2.4 m -68.17 -58.7 4.03 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.295 -0.878 . . . . 0.0 109.409 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 21' ' ' THR . 6.4 mmm180 -44.86 -44.86 9.88 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.275 -0.89 . . . . 0.0 109.848 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -62.67 -46.6 87.44 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.145 -0.972 . . . . 0.0 109.951 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 55.6 mt -64.94 -55.4 20.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.264 -0.898 . . . . 0.0 109.822 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 22.7 mm -51.49 -29.88 10.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.168 -0.958 . . . . 0.0 109.648 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -66.22 -59.98 3.23 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.199 -0.938 . . . . 0.0 109.7 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.25 -46.92 36.19 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.304 -0.872 . . . . 0.0 109.842 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.46 ' O ' ' C ' ' A' ' 29' ' ' LEU . 1.8 mt -64.06 -69.13 0.3 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.229 -0.919 . . . . 0.0 109.877 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -41.21 -37.89 1.01 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.202 -0.936 . . . . 0.0 109.588 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -58.93 -51.91 68.03 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.204 -0.935 . . . . 0.0 109.515 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.58 -29.64 52.06 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.149 -0.969 . . . . 0.0 109.329 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 113.81 14.04 9.76 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.449 -1.46 . . . . 0.0 109.449 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.9 t -47.75 142.96 4.26 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.294 -1.121 . . . . 0.0 109.572 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -106.81 146.1 32.42 Favored Pre-proline 0 N--CA 1.49 1.549 0 O-C-N 121.289 -0.882 . . . . 0.0 109.263 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -70.0 -18.9 35.58 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.686 2.257 . . . . 0.0 112.218 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -88.3 7.8 30.49 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.249 -0.907 . . . . 0.0 109.461 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -90.41 -10.56 43.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.254 -0.904 . . . . 0.0 109.676 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.0 tp 64.95 139.16 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.181 -0.949 . . . . 0.0 109.439 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -133.54 146.19 50.82 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.303 -0.873 . . . . 0.0 109.437 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -103.37 122.08 44.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.207 -0.933 . . . . 0.0 109.376 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.455 HG13 HE22 ' A' ' 100' ' ' GLN . 2.2 mm -91.2 126.02 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.245 -0.91 . . . . 0.0 109.611 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.17 116.65 32.3 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.294 -0.879 . . . . 0.0 109.323 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.501 ' ND1' ' CD1' ' A' ' 104' ' ' LEU . 14.2 m-70 -110.66 137.36 48.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.157 -0.964 . . . . 0.0 109.464 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.453 ' CD2' ' OD1' ' A' ' 85' ' ' ASP . 33.1 m170 -111.81 135.88 51.83 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.286 -0.884 . . . . 0.0 109.419 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 3.4 mp -140.47 144.55 36.12 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.179 -0.95 . . . . 0.0 109.601 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.552 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -129.73 154.28 47.34 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.303 -0.873 . . . . 0.0 109.497 179.876 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.593 ' HB1' ' HE3' ' A' ' 52' ' ' LYS . . . -135.5 171.2 14.78 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.22 -0.925 . . . . 0.0 109.373 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.555 ' H ' ' NZ ' ' A' ' 52' ' ' LYS . 2.1 mp0 -108.61 -12.29 14.99 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.296 -0.877 . . . . 0.0 109.488 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.498 ' H ' ' HE3' ' A' ' 52' ' ' LYS . 66.1 m-20 -135.65 127.63 29.58 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.295 -0.878 . . . . 0.0 109.555 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.76 -17.68 25.32 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.277 -0.89 . . . . 0.0 109.432 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -63.82 -68.65 0.33 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.27 -0.894 . . . . 0.0 109.447 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.593 ' HE3' ' HB1' ' A' ' 47' ' ' ALA . 5.3 pttt -60.81 -27.82 68.33 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.218 -0.926 . . . . 0.0 109.437 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.513 ' C ' HD23 ' A' ' 53' ' ' LEU . 4.7 tt -61.49 -56.53 19.04 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.277 -0.89 . . . . 0.0 109.573 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.86 -42.4 84.42 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.227 -0.92 . . . . 0.0 109.518 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -60.52 -60.92 3.03 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.244 -0.91 . . . . 0.0 109.529 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.21 -57.4 11.31 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.268 -0.895 . . . . 0.0 109.793 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.498 ' O ' ' C ' ' A' ' 58' ' ' VAL . . . -45.28 -62.67 1.17 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.149 -0.969 . . . . 0.0 109.685 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.498 ' C ' ' O ' ' A' ' 57' ' ' ALA . 2.0 t -38.6 -51.52 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.289 -0.882 . . . . 0.0 109.571 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.48 ' O ' ' C ' ' A' ' 60' ' ' ALA . 0.3 OUTLIER -55.54 -57.26 12.66 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.29 -0.881 . . . . 0.0 109.694 -179.638 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.48 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . -40.03 -47.09 2.23 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.2 -0.938 . . . . 0.0 109.587 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -63.36 -40.41 97.18 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.222 -0.924 . . . . 0.0 109.682 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -60.36 -41.14 93.06 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.235 -0.916 . . . . 0.0 109.571 -179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 28.2 mtm -69.12 -48.66 61.88 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.22 -0.925 . . . . 0.0 109.477 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 144.38 32.73 0.09 OUTLIER Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.624 ' CE2' ' SD ' ' A' ' 88' ' ' MET . 32.6 m-85 -108.73 118.56 37.09 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.26 -1.141 . . . . 0.0 109.465 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -69.37 86.71 0.43 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.209 -0.932 . . . . 0.0 109.416 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 67' ' ' VAL . 9.4 p -62.59 132.26 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.259 -0.901 . . . . 0.0 109.393 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.425 HD23 ' H ' ' A' ' 69' ' ' GLU . 0.5 OUTLIER -109.48 150.1 28.61 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.29 -0.881 . . . . 0.0 109.632 -179.75 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.425 ' H ' HD23 ' A' ' 68' ' ' LEU . 9.3 tt0 -48.95 152.85 0.96 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.43 -0.794 . . . . 0.0 109.667 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -101.27 167.71 10.02 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.472 -0.767 . . . . 0.0 109.202 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.516 ' O ' ' C ' ' A' ' 72' ' ' GLU . 71.7 tt0 -136.41 112.23 9.51 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.172 -0.955 . . . . 0.0 109.539 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.643 ' CD ' ' H ' ' A' ' 72' ' ' GLU . 1.2 pm0 -37.74 100.92 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.355 -0.84 . . . . 0.0 109.379 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.494 HG23 ' N ' ' A' ' 74' ' ' GLU . 12.5 t -101.88 -156.42 0.56 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.299 -0.875 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.494 ' N ' HG23 ' A' ' 73' ' ' THR . 0.4 OUTLIER -150.62 136.87 18.6 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.252 -0.905 . . . . 0.0 109.529 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.648 ' O ' ' N ' ' A' ' 77' ' ' ASP . 59.4 t0 -69.15 48.59 0.07 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.321 -0.862 . . . . 0.0 109.412 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.499 ' C ' ' O ' ' A' ' 75' ' ' ASP . 5.7 mt-10 38.69 21.56 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.277 -0.889 . . . . 0.0 109.469 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.648 ' N ' ' O ' ' A' ' 75' ' ' ASP . 14.8 t70 -130.06 -31.72 1.88 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.226 -0.921 . . . . 0.0 109.606 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 126.71 35.43 0.56 Allowed Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -106.1 -158.61 0.66 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.179 -1.189 . . . . 0.0 109.353 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -159.94 95.57 1.18 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.244 -0.91 . . . . 0.0 109.65 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.725 ' H ' HD12 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -127.28 144.57 51.02 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.273 -0.892 . . . . 0.0 109.299 179.738 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.41 132.92 38.74 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.194 -0.941 . . . . 0.0 109.438 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 6.4 p -123.7 106.85 10.86 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.206 -0.934 . . . . 0.0 109.478 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.492 ' CZ ' ' HB2' ' A' ' 45' ' ' LEU . 9.0 p90 -99.14 161.39 13.65 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.114 -0.991 . . . . 0.0 109.382 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.453 ' OD1' ' CD2' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -109.23 171.48 7.41 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.251 -0.906 . . . . 0.0 109.715 -179.664 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -155.41 125.77 6.77 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.418 -0.802 . . . . 0.0 109.281 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.46 149.82 35.72 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.085 -1.01 . . . . 0.0 109.82 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.624 ' SD ' ' CE2' ' A' ' 65' ' ' PHE . 13.0 ttt -152.55 111.07 3.74 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.372 -0.83 . . . . 0.0 109.37 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -58.43 144.37 42.26 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.29 -0.881 . . . . 0.0 109.653 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.47 170.63 14.23 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.28 -0.887 . . . . 0.0 109.421 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.54 ' O ' ' C ' ' A' ' 92' ' ' LEU . . . -102.3 122.13 43.63 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.218 -0.926 . . . . 0.0 109.561 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.54 ' C ' ' O ' ' A' ' 91' ' ' ALA . 4.7 tp -36.19 102.39 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.257 -0.902 . . . . 0.0 109.461 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.515 ' O ' ' C ' ' A' ' 94' ' ' ALA . 1.4 m-20 -159.73 97.22 1.29 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.198 -0.939 . . . . 0.0 109.561 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.515 ' C ' ' O ' ' A' ' 93' ' ' ASP . . . -37.31 -47.0 0.8 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.257 -0.902 . . . . 0.0 109.416 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.463 ' HZ2' ' HB3' ' A' ' 95' ' ' LYS . 6.4 mtpm? -52.45 -55.0 24.84 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.224 -0.923 . . . . 0.0 109.404 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 99' ' ' GLU . 0.2 OUTLIER -64.7 -61.63 2.07 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.25 -0.906 . . . . 0.0 109.102 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.492 ' C ' ' O ' ' A' ' 96' ' ' LEU . 34.4 mt -38.68 -38.14 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.39 -0.819 . . . . 0.0 109.396 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.615 ' OD2' ' NZ ' ' A' ' 18' ' ' LYS . 89.9 m-20 -67.3 -41.42 85.38 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.192 -0.943 . . . . 0.0 109.321 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.519 ' N ' ' O ' ' A' ' 96' ' ' LEU . 5.0 mm-40 -61.39 -43.06 99.52 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.313 -0.867 . . . . 0.0 109.374 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.455 HE22 HG13 ' A' ' 41' ' ' ILE . 7.5 mt-30 -63.27 -44.13 95.97 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.271 -0.893 . . . . 0.0 109.294 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.554 HG21 ' NE2' ' A' ' 17' ' ' GLN . 69.8 t -64.88 -63.13 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.295 -0.878 . . . . 0.0 109.493 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.539 ' C ' ' O ' ' A' ' 101' ' ' VAL . 4.2 tt0 -35.76 -47.57 0.5 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.299 -0.876 . . . . 0.0 109.553 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -60.3 -42.73 96.11 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.236 -0.915 . . . . 0.0 109.476 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 101' ' ' VAL . 84.2 mt -71.24 -17.81 62.48 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.303 -0.873 . . . . 0.0 109.698 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.0 t -82.51 -50.95 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.217 -0.927 . . . . 0.0 109.745 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.522 ' N ' ' OD1' ' A' ' 106' ' ' ASN . 0.0 OUTLIER -66.04 -43.26 88.05 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.209 -0.932 . . . . 0.0 109.906 -179.69 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.15 -50.49 61.01 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.281 -0.887 . . . . 0.0 109.676 -179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.437 ' HB1' HG13 ' A' ' 113' ' ' ILE . . . -49.85 -53.25 26.84 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.276 -0.89 . . . . 0.0 109.722 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -69.29 -19.44 63.9 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.242 -0.911 . . . . 0.0 109.644 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.57 ' HZ3' ' HB3' ' A' ' 110' ' ' LYS . 2.1 ttpm? -68.01 -32.48 72.9 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.176 -0.953 . . . . 0.0 109.598 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.563 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 11.4 m-85 -97.7 -77.22 0.5 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.189 -0.944 . . . . 0.0 109.689 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.571 ' O ' ' NZ ' ' A' ' 52' ' ' LYS . 0.2 OUTLIER 170.41 30.62 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.197 -0.939 . . . . 0.0 109.681 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.437 HG13 ' HB1' ' A' ' 108' ' ' ALA . 22.2 pt -114.26 173.68 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.221 -0.925 . . . . 0.0 109.192 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.8 tt -123.85 131.23 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.049 -1.032 . . . . 0.0 109.822 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.687 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 1.4 t80 -101.89 95.55 6.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.404 -0.81 . . . . 0.0 108.932 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -142.05 80.48 1.71 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.232 -0.917 . . . . 0.0 109.683 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 159.3 77.27 0.02 OUTLIER Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.948 -1.261 . . . . 0.0 109.948 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -116.49 150.6 37.64 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.052 -1.264 . . . . 0.0 109.153 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.12 167.69 36.16 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 4.4 t -127.42 167.7 15.87 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.405 -1.056 . . . . 0.0 109.391 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.99 103.85 15.74 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.233 -0.917 . . . . 0.0 109.577 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -63.24 147.94 49.56 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.192 -0.942 . . . . 0.0 109.223 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.0 82.72 2.79 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.201 -0.937 . . . . 0.0 109.455 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -170.53 -123.42 0.69 Allowed Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.5 -1.44 . . . . 0.0 109.5 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 55.19 89.19 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.188 -1.184 . . . . 0.0 109.375 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -102.59 144.21 31.29 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.29 -0.881 . . . . 0.0 109.683 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 128' ' ' HIS . 1.8 m80 58.43 87.39 0.07 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.273 -0.892 . . . . 0.0 109.559 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 127' ' ' HIS . 33.8 m80 -45.05 126.04 5.67 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.137 -0.977 . . . . 0.0 109.075 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -176.3 166.8 2.84 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.094 -1.004 . . . . 0.0 109.94 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.68 ' ND1' ' N ' ' A' ' 130' ' ' HIS . 0.0 OUTLIER -132.74 -134.75 0.18 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.417 -0.802 . . . . 0.0 109.216 179.853 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.552 ' O ' ' OXT' ' A' ' 132' ' ' HIS . 1.9 t60 -137.33 -156.94 0.73 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.2 -0.938 . . . . 0.0 109.521 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.552 ' OXT' ' O ' ' A' ' 131' ' ' HIS . 22.5 t-160 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.511 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.5 ' C ' ' H ' ' A' ' 4' ' ' GLN . 10.4 t -51.11 -26.47 6.58 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.337 -0.852 . . . . 0.0 109.343 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.48 ' CB ' ' O ' ' A' ' 2' ' ' SER . 9.3 t-80 73.98 -30.34 0.21 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.266 -0.896 . . . . 0.0 109.341 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.5 ' H ' ' C ' ' A' ' 2' ' ' SER . 21.7 mt-30 55.7 91.95 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.322 -0.861 . . . . 0.0 109.553 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.563 ' O ' ' OD1' ' A' ' 6' ' ' ASP . 5.7 m-20 -78.73 -111.87 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.236 -0.915 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.563 ' OD1' ' O ' ' A' ' 5' ' ' ASP . 0.7 OUTLIER -160.52 -28.6 0.06 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.192 -0.942 . . . . 0.0 109.339 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.655 ' O ' ' N ' ' A' ' 9' ' ' SER . 35.5 m-85 -144.92 59.49 1.31 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.263 -0.898 . . . . 0.0 109.378 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.574 ' CD1' ' H ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -43.5 87.32 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.267 -0.895 . . . . 0.0 109.45 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.655 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -77.43 110.24 12.03 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.258 -0.901 . . . . 0.0 109.651 -179.888 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.6 m -59.61 -16.85 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.231 -0.918 . . . . 0.0 109.121 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -70.15 -58.25 4.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.396 -0.815 . . . . 0.0 109.587 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.411 ' CG ' ' N ' ' A' ' 13' ' ' LEU . 5.3 pt-20 -56.68 -34.64 67.59 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.199 -0.938 . . . . 0.0 109.483 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.411 ' N ' ' CG ' ' A' ' 12' ' ' GLU . 89.4 mt -69.84 -43.19 72.43 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.19 -0.944 . . . . 0.0 109.309 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 29.2 mt -61.49 -37.94 78.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.286 -0.884 . . . . 0.0 109.506 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -63.05 -56.58 15.75 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.276 -0.89 . . . . 0.0 109.478 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 16.4 mt -47.94 -67.12 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.334 -0.854 . . . . 0.0 109.643 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -45.71 -39.16 7.7 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.305 -0.872 . . . . 0.0 109.777 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.2 ttmt -58.16 -39.51 79.03 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.223 -0.923 . . . . 0.0 109.56 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -74.01 -56.92 4.35 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.247 -0.908 . . . . 0.0 109.446 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -48.66 -61.24 2.13 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.268 -0.895 . . . . 0.0 109.571 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.489 ' O ' ' C ' ' A' ' 22' ' ' ARG . 98.4 m -48.04 -63.21 1.13 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.253 -0.904 . . . . 0.0 109.578 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.489 ' C ' ' O ' ' A' ' 21' ' ' THR . 1.5 ttp180 -39.05 -37.61 0.39 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.287 -0.883 . . . . 0.0 109.653 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.92 -47.4 71.82 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.198 -0.939 . . . . 0.0 109.502 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.475 ' O ' ' C ' ' A' ' 25' ' ' ILE . 19.2 mt -63.32 -61.12 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.293 -0.879 . . . . 0.0 109.526 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.475 ' C ' ' O ' ' A' ' 24' ' ' ILE . 11.4 mm -39.21 -48.02 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.253 -0.904 . . . . 0.0 109.571 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -60.05 -43.07 95.62 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.181 -0.95 . . . . 0.0 109.397 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . -61.24 -65.03 0.76 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.26 -0.9 . . . . 0.0 109.424 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.668 ' O ' ' N ' ' A' ' 32' ' ' GLY . 13.9 mt -43.98 -52.3 7.11 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.309 -0.869 . . . . 0.0 109.378 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 25.7 mt -50.66 -33.64 23.26 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.255 -0.903 . . . . 0.0 109.538 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 27' ' ' ALA . 1.4 tt0 -74.2 -37.78 63.81 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.215 -0.928 . . . . 0.0 109.581 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -129.49 42.0 3.36 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.203 -0.935 . . . . 0.0 109.519 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.668 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -178.63 27.95 0.06 OUTLIER Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.53 75.35 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.248 -1.148 . . . . 0.0 109.599 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.553 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -138.32 52.24 4.55 Favored Pre-proline 0 N--CA 1.49 1.543 0 O-C-N 121.138 -0.976 . . . . 0.0 109.411 179.806 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 34' ' ' ASP . 27.1 Cg_endo -65.47 -19.35 60.98 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.875 2.383 . . . . 0.0 112.225 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -85.46 -6.55 59.19 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.259 -0.901 . . . . 0.0 109.474 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.11 10.71 36.75 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.287 -0.883 . . . . 0.0 109.456 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER 64.56 141.25 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.284 -0.885 . . . . 0.0 109.359 179.897 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.432 ' CD1' ' HB2' ' A' ' 92' ' ' LEU . 2.1 m-85 -119.25 169.33 10.06 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.32 -0.863 . . . . 0.0 109.445 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -123.6 114.72 20.4 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.272 -0.893 . . . . 0.0 109.546 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.446 HD13 ' N ' ' A' ' 41' ' ' ILE . 6.6 mm -90.0 154.4 3.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.257 -0.902 . . . . 0.0 109.403 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -137.8 122.15 18.24 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.206 -0.934 . . . . 0.0 109.616 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 54.2 m-70 -116.19 138.47 51.25 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.274 -0.891 . . . . 0.0 109.614 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -114.06 131.16 56.48 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.248 -0.908 . . . . 0.0 109.245 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 3.0 mp -135.42 147.75 49.09 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.365 -0.834 . . . . 0.0 109.428 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.601 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 1.7 p90 -134.66 150.61 50.66 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.209 -0.932 . . . . 0.0 109.656 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -141.46 176.91 8.49 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.444 -0.785 . . . . 0.0 109.682 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -112.09 -52.61 2.77 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.379 -0.825 . . . . 0.0 109.298 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.67 ' O ' ' N ' ' A' ' 51' ' ' ASP . 5.1 t0 -79.58 99.91 7.54 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.231 -0.918 . . . . 0.0 109.508 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -43.76 -12.08 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.244 -0.91 . . . . 0.0 109.506 179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.67 ' N ' ' O ' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -73.78 -66.69 0.67 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.198 -0.939 . . . . 0.0 109.512 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -59.96 -18.93 49.16 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.189 -0.944 . . . . 0.0 109.653 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.668 ' C ' HD23 ' A' ' 53' ' ' LEU . 3.7 tt -71.83 -62.95 1.24 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.184 -0.947 . . . . 0.0 109.605 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -59.84 -20.45 57.07 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.227 -0.921 . . . . 0.0 109.509 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -76.84 -54.98 5.9 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.28 -0.888 . . . . 0.0 109.384 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.96 -31.51 72.64 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.303 -0.873 . . . . 0.0 109.364 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.466 ' HB1' HG21 ' A' ' 67' ' ' VAL . . . -67.7 -51.62 47.37 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.317 -0.864 . . . . 0.0 109.475 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.9 t -50.41 -56.32 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.253 -0.904 . . . . 0.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -48.41 -52.79 20.35 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.248 -0.908 . . . . 0.0 109.384 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -46.67 -47.93 20.17 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.249 -0.907 . . . . 0.0 109.266 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -52.23 -54.22 33.77 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.318 -0.864 . . . . 0.0 109.489 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -46.94 -41.38 16.01 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.274 -0.891 . . . . 0.0 109.431 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 60.1 mtt -63.54 -56.97 11.82 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.249 -0.907 . . . . 0.0 109.381 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 145.07 43.34 0.04 OUTLIER Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 88' ' ' MET . 18.3 m-85 -113.32 145.97 40.2 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.283 -1.128 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.657 ' OE1' ' N ' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -89.42 70.87 8.08 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.254 -0.903 . . . . 0.0 109.415 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.466 HG21 ' HB1' ' A' ' 57' ' ' ALA . 5.9 p -46.57 149.11 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.242 -0.911 . . . . 0.0 109.411 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -132.6 150.03 52.22 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.294 -0.879 . . . . 0.0 109.59 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -56.45 172.79 0.21 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.258 -0.902 . . . . 0.0 109.696 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.476 ' HB1' ' H ' ' A' ' 83' ' ' CYS . . . -119.86 -179.86 4.04 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.427 -0.796 . . . . 0.0 109.416 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.472 ' O ' ' C ' ' A' ' 72' ' ' GLU . 43.7 tt0 -146.38 135.78 22.92 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.15 -0.969 . . . . 0.0 109.525 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -40.1 111.89 0.23 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.224 -0.923 . . . . 0.0 109.285 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.655 HG22 ' O ' ' A' ' 81' ' ' LEU . 11.9 t -113.11 -165.59 1.01 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.21 -0.931 . . . . 0.0 109.65 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -159.84 138.47 10.57 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.388 -0.82 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 76' ' ' GLU . 9.9 t70 -94.83 -165.36 1.29 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.154 -0.966 . . . . 0.0 109.518 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.526 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 6.8 mt-10 -80.98 20.74 0.76 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.223 -0.923 . . . . 0.0 109.637 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -127.35 -16.7 4.86 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.234 -0.916 . . . . 0.0 109.474 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 89.49 80.21 1.33 Allowed Glycine 0 N--CA 1.49 2.262 0 N-CA-C 109.492 -1.443 . . . . 0.0 109.492 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.594 ' O ' ' CD1' ' A' ' 81' ' ' LEU . 24.0 t-20 -154.3 119.11 4.93 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.277 -1.131 . . . . 0.0 109.515 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.0 107.69 1.32 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.222 -0.924 . . . . 0.0 109.382 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.655 ' O ' HG22 ' A' ' 73' ' ' THR . 0.6 OUTLIER -118.85 161.52 20.03 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.208 -0.933 . . . . 0.0 109.427 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.608 HD23 ' N ' ' A' ' 82' ' ' LEU . 0.2 OUTLIER -100.18 129.29 46.18 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.22 -0.925 . . . . 0.0 109.502 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.64 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 24.3 p -123.79 100.03 6.57 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.413 -0.804 . . . . 0.0 109.927 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.484 ' CZ ' ' HB2' ' A' ' 45' ' ' LEU . 19.3 p90 -89.87 157.76 17.75 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.214 -0.929 . . . . 0.0 108.748 179.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.671 ' OD1' ' N ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -112.27 171.56 7.44 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.082 -1.011 . . . . 0.0 110.352 -179.187 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.671 ' N ' ' OD1' ' A' ' 85' ' ' ASP . . . -150.91 110.82 4.08 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.13 159.31 15.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.304 -0.872 . . . . 0.0 109.953 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.481 ' SD ' ' NE2' ' A' ' 100' ' ' GLN . 0.9 OUTLIER -160.88 117.08 2.26 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.314 -0.866 . . . . 0.0 109.346 179.809 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -76.19 123.57 26.07 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.201 -0.937 . . . . 0.0 109.414 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.428 ' OG ' ' CD2' ' A' ' 96' ' ' LEU . 1.3 t -157.37 152.09 25.44 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.222 -0.924 . . . . 0.0 109.557 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.19 163.42 0.23 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.338 -0.851 . . . . 0.0 109.639 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.432 ' HB2' ' CD1' ' A' ' 39' ' ' TYR . 5.9 tp -92.07 106.17 18.25 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.241 -0.912 . . . . 0.0 109.335 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -152.84 121.54 6.44 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.202 -0.936 . . . . 0.0 109.542 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -47.87 -65.35 0.58 Allowed 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.271 -0.893 . . . . 0.0 109.471 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.535 ' O ' ' N ' ' A' ' 98' ' ' ASP . 10.6 mttt -40.15 -65.0 0.44 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.254 -0.904 . . . . 0.0 109.424 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.465 ' C ' ' O ' ' A' ' 95' ' ' LYS . 0.4 OUTLIER -41.89 -56.05 2.87 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.196 -0.94 . . . . 0.0 109.193 179.855 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 32.6 mt -54.07 -27.98 16.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.396 -0.815 . . . . 0.0 109.29 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.535 ' N ' ' O ' ' A' ' 95' ' ' LYS . 0.4 OUTLIER -69.74 -56.39 7.3 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.265 -0.897 . . . . 0.0 109.447 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -56.35 -33.94 66.14 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.198 -0.939 . . . . 0.0 109.473 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.481 ' NE2' ' SD ' ' A' ' 88' ' ' MET . 31.0 mt-30 -69.16 -62.1 1.52 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.252 -0.905 . . . . 0.0 109.414 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.492 ' O ' HG23 ' A' ' 105' ' ' VAL . 38.0 t -52.34 -44.4 42.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.296 -0.877 . . . . 0.0 109.253 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.679 ' O ' ' ND2' ' A' ' 106' ' ' ASN . 0.9 OUTLIER -56.18 -38.26 70.7 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.397 -0.814 . . . . 0.0 109.482 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 13.8 mttm -66.83 -42.6 85.55 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.165 -0.96 . . . . 0.0 109.332 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 11.9 mt -68.52 -32.05 71.74 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.191 -0.943 . . . . 0.0 109.393 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 101' ' ' VAL . 75.8 t -68.51 -39.3 80.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.368 -0.833 . . . . 0.0 109.862 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.679 ' ND2' ' O ' ' A' ' 102' ' ' GLU . 0.4 OUTLIER -68.34 -52.67 30.79 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.229 -0.919 . . . . 0.0 109.713 -179.743 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.3 tp -58.9 -51.0 71.92 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.08 -1.013 . . . . 0.0 109.55 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -46.3 -56.72 5.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.335 -0.853 . . . . 0.0 109.709 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -67.07 -16.67 64.49 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.244 -0.91 . . . . 0.0 109.738 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.3 tttm -76.04 -23.12 55.09 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.139 -0.976 . . . . 0.0 109.661 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.476 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 23.5 m-85 -107.79 -77.2 0.6 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.184 -0.947 . . . . 0.0 109.852 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.3 OUTLIER 167.92 34.96 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.062 -1.023 . . . . 0.0 109.838 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 13.2 pt -119.46 157.23 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.092 -1.005 . . . . 0.0 109.559 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.479 HG23 ' CZ ' ' A' ' 46' ' ' PHE . 0.7 OUTLIER -104.19 120.78 54.97 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.285 -0.884 . . . . 0.0 109.429 -179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.564 ' CD1' ' O ' ' A' ' 115' ' ' TYR . 2.5 t80 -97.61 111.57 23.79 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.285 -0.884 . . . . 0.0 109.424 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.636 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 2.6 p-10 -160.08 79.17 0.68 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.232 -0.917 . . . . 0.0 109.585 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 171.57 68.75 0.04 OUTLIER Glycine 0 N--CA 1.491 2.344 0 N-CA-C 109.433 -1.467 . . . . 0.0 109.433 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -111.42 146.17 37.65 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.204 -1.174 . . . . 0.0 109.584 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -164.54 174.3 40.55 Favored Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.442 -1.463 . . . . 0.0 109.442 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -142.95 169.79 16.91 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.232 -1.158 . . . . 0.0 109.605 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -127.28 133.73 50.13 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.228 -0.92 . . . . 0.0 109.398 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.457 ' CD1' ' N ' ' A' ' 123' ' ' GLU . 5.2 t80 -77.3 138.17 39.21 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.184 -0.947 . . . . 0.0 109.428 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.457 ' N ' ' CD1' ' A' ' 122' ' ' TYR . 0.4 OUTLIER -70.82 101.96 2.24 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.231 -0.918 . . . . 0.0 109.425 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 146.34 -143.91 12.14 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.504 -1.438 . . . . 0.0 109.504 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 55.05 57.14 5.83 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.225 -1.162 . . . . 0.0 109.457 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -112.28 25.79 11.19 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.996 -1.065 . . . . 0.0 109.561 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.3 79.62 2.33 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.299 -0.876 . . . . 0.0 109.238 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.537 ' O ' ' CG ' ' A' ' 129' ' ' HIS . 2.0 p-80 -88.71 58.82 4.81 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.212 -0.93 . . . . 0.0 109.588 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 128' ' ' HIS . 3.6 m80 -171.37 99.6 0.2 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.25 -0.906 . . . . 0.0 109.641 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.478 ' ND1' ' N ' ' A' ' 130' ' ' HIS . 0.2 OUTLIER -135.96 0.6 2.66 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.357 -0.839 . . . . 0.0 109.023 179.877 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.615 ' CG ' ' O ' ' A' ' 131' ' ' HIS . 54.2 t60 -83.29 51.67 2.03 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.291 -0.881 . . . . 0.0 109.451 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.425 ' C ' ' O ' ' A' ' 131' ' ' HIS . 40.1 m170 . . . . . 0 N--CA 1.49 1.571 0 CA-C-O 117.965 -1.017 . . . . 0.0 109.407 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.537 0 CA-C-O 121.33 0.586 . . . . 0.0 109.53 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -149.29 53.17 0.96 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.272 -0.892 . . . . 0.0 109.42 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -76.62 -173.54 2.61 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.294 -0.878 . . . . 0.0 109.606 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.16 150.1 49.67 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.216 -0.928 . . . . 0.0 109.301 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.53 ' O ' ' C ' ' A' ' 6' ' ' ASP . 0.0 OUTLIER -165.73 67.64 0.12 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.135 -0.978 . . . . 0.0 109.826 -179.854 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.53 ' C ' ' O ' ' A' ' 5' ' ' ASP . 1.0 OUTLIER 33.59 58.12 0.54 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.33 -0.856 . . . . 0.0 109.726 179.805 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.53 ' C ' ' O ' ' A' ' 6' ' ' ASP . 0.2 OUTLIER -36.99 122.99 0.86 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.244 -0.91 . . . . 0.0 109.405 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.0 pp -107.39 139.51 41.77 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.271 -0.893 . . . . 0.0 109.529 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.2 116.26 31.57 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.208 -0.933 . . . . 0.0 109.44 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 28.0 m -50.17 -27.4 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.3 -0.875 . . . . 0.0 109.576 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.507 ' O ' ' OE1' ' A' ' 15' ' ' GLU . 22.8 tt0 -55.51 -62.2 1.84 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.312 -0.868 . . . . 0.0 109.698 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 13' ' ' LEU . 2.0 mt-10 -54.53 -57.83 9.83 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.258 -0.902 . . . . 0.0 109.743 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.464 ' N ' HD23 ' A' ' 13' ' ' LEU . 7.3 mt -44.04 -44.96 7.74 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.206 -0.933 . . . . 0.0 109.629 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.2 mt -61.08 -39.18 81.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.152 -0.967 . . . . 0.0 109.513 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.507 ' OE1' ' O ' ' A' ' 11' ' ' GLU . 2.0 mp0 -63.12 -57.06 11.84 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.273 -0.892 . . . . 0.0 109.347 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.0 mm -54.52 -29.39 20.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.247 -0.908 . . . . 0.0 109.505 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.417 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -74.43 -37.3 63.33 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.328 -0.857 . . . . 0.0 109.375 -179.885 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -64.02 -37.98 89.42 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.333 -0.855 . . . . 0.0 109.368 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -72.24 -44.53 62.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.219 -0.926 . . . . 0.0 109.262 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.3 -55.07 38.18 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.354 -0.841 . . . . 0.0 109.265 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 17' ' ' GLN . 1.5 m -47.61 -57.6 5.27 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.317 -0.865 . . . . 0.0 109.339 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 ttp180 -49.82 -38.23 33.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.302 -0.874 . . . . 0.0 109.473 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -65.88 -41.75 91.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.222 -0.924 . . . . 0.0 109.562 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.481 ' O ' ' C ' ' A' ' 25' ' ' ILE . 86.0 mt -72.3 -63.58 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.189 -0.944 . . . . 0.0 109.511 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.481 ' C ' ' O ' ' A' ' 24' ' ' ILE . 34.6 mm -39.25 -38.4 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.216 -0.928 . . . . 0.0 109.406 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -68.55 -55.03 13.02 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.189 -0.944 . . . . 0.0 109.382 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.46 -48.71 65.68 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.321 -0.862 . . . . 0.0 109.48 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.67 ' O ' ' N ' ' A' ' 32' ' ' GLY . 15.5 mt -55.39 -54.57 42.1 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.181 -0.949 . . . . 0.0 109.263 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.452 HD13 ' O ' ' A' ' 25' ' ' ILE . 7.2 mp -58.03 -19.02 28.07 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.347 -0.845 . . . . 0.0 109.567 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.56 ' O ' ' OD1' ' A' ' 31' ' ' ASP . 20.2 tt0 -81.79 -31.6 31.76 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.13 -0.981 . . . . 0.0 109.582 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.56 ' OD1' ' O ' ' A' ' 30' ' ' GLU . 22.1 m-20 -143.36 29.88 1.41 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.194 -0.941 . . . . 0.0 109.699 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.67 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . -173.4 38.74 0.14 Allowed Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.514 ' O ' ' O ' ' A' ' 32' ' ' GLY . 68.0 m -57.99 -121.43 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.259 -1.142 . . . . 0.0 109.491 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.536 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 3.9 m-20 53.89 49.09 5.46 Favored Pre-proline 0 N--CA 1.49 1.572 0 O-C-N 121.296 -0.878 . . . . 0.0 109.548 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.536 ' CD ' ' N ' ' A' ' 34' ' ' ASP . 40.6 Cg_endo -70.31 -2.66 10.94 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.746 2.297 . . . . 0.0 112.054 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.641 ' N ' ' OD1' ' A' ' 36' ' ' ASP . 0.2 OUTLIER -88.5 -17.3 30.59 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.22 -0.925 . . . . 0.0 109.395 179.902 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' A' ' 38' ' ' LEU . . . -71.08 -84.32 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.25 -0.906 . . . . 0.0 109.34 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.407 ' CB ' ' O ' ' A' ' 37' ' ' ALA . 0.9 OUTLIER 169.04 150.44 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.237 -0.914 . . . . 0.0 109.481 179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -138.22 157.89 45.38 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.306 -0.871 . . . . 0.0 109.457 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -119.57 116.04 25.22 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.305 -0.872 . . . . 0.0 109.462 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.875 HD12 ' N ' ' A' ' 41' ' ' ILE . 1.8 mp -85.65 136.87 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.329 -0.857 . . . . 0.0 109.325 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.431 ' OE2' ' CE2' ' A' ' 121' ' ' TYR . 6.3 mt-10 -113.46 126.39 55.27 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.125 -0.984 . . . . 0.0 109.749 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.5 ' CD2' ' CD1' ' A' ' 104' ' ' LEU . 71.5 m-70 -117.39 129.72 56.03 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.301 -0.874 . . . . 0.0 109.075 179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.532 ' C ' HD12 ' A' ' 45' ' ' LEU . 26.3 m80 -109.22 134.01 52.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.148 -0.97 . . . . 0.0 109.938 -179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.532 HD12 ' C ' ' A' ' 44' ' ' HIS . 5.5 mp -137.05 142.88 42.42 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.458 -0.776 . . . . 0.0 109.249 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.676 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -119.37 157.74 27.56 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.218 -0.926 . . . . 0.0 109.661 -179.854 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.502 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -138.68 173.72 11.29 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.333 -0.854 . . . . 0.0 109.533 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.505 ' H ' ' HE3' ' A' ' 52' ' ' LYS . 30.1 mt-10 -109.89 -29.04 8.46 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.282 -0.886 . . . . 0.0 109.588 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.473 ' H ' ' CE ' ' A' ' 52' ' ' LYS . 11.7 t0 -118.8 133.82 55.57 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.208 -0.933 . . . . 0.0 109.586 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -60.73 -25.02 66.15 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.288 -0.883 . . . . 0.0 109.455 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.83 -74.08 0.08 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.245 -0.91 . . . . 0.0 109.602 -179.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.505 ' HE3' ' H ' ' A' ' 48' ' ' GLU . 19.7 pttt -56.62 -25.37 52.93 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.26 -0.9 . . . . 0.0 109.642 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.502 HD12 ' HB3' ' A' ' 47' ' ' ALA . 3.9 tt -64.3 -53.9 41.57 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.16 -0.963 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.406 ' O ' HG23 ' A' ' 58' ' ' VAL . 21.0 mm-40 -63.72 -28.24 69.76 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.176 -0.953 . . . . 0.0 109.193 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 111' ' ' PHE . 38.8 mmtt -67.97 -67.84 0.43 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.273 -0.892 . . . . 0.0 109.333 179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.54 -48.16 38.74 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.276 -0.89 . . . . 0.0 109.297 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -53.31 -62.21 1.8 Allowed 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.293 -0.879 . . . . 0.0 109.246 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 54' ' ' GLU . 50.3 t -49.45 -36.71 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.248 -0.907 . . . . 0.0 109.179 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -51.86 66.55 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.285 -0.885 . . . . 0.0 109.246 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.51 -44.98 95.05 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.314 -0.866 . . . . 0.0 109.204 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -52.16 -35.61 49.23 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.269 -0.895 . . . . 0.0 109.297 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.444 ' O ' ' C ' ' A' ' 63' ' ' MET . 10.0 tttm -71.27 -53.68 13.45 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.239 -0.913 . . . . 0.0 109.364 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.444 ' C ' ' O ' ' A' ' 62' ' ' LYS . 33.2 mtm -42.71 -49.26 5.64 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.284 -0.885 . . . . 0.0 109.447 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 143.05 33.91 0.09 OUTLIER Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.424 ' CD2' ' HB2' ' A' ' 88' ' ' MET . 54.4 m-85 -107.66 154.27 21.71 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.239 -1.154 . . . . 0.0 109.504 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.58 74.72 3.24 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.257 -0.902 . . . . 0.0 109.228 179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 p -46.41 144.8 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.291 -0.881 . . . . 0.0 109.501 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.507 ' O ' ' O ' ' A' ' 69' ' ' GLU . 0.8 OUTLIER -128.38 136.06 50.39 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.294 -0.879 . . . . 0.0 109.353 179.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.507 ' O ' ' O ' ' A' ' 68' ' ' LEU . 41.6 tt0 -39.6 161.61 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.245 -0.909 . . . . 0.0 109.399 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.453 ' N ' ' HG2' ' A' ' 69' ' ' GLU . . . -104.96 176.88 5.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.178 -0.951 . . . . 0.0 109.765 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 73' ' ' THR . 3.7 tt0 -131.16 120.54 23.46 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.37 -0.832 . . . . 0.0 109.158 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.81 89.25 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.245 -0.91 . . . . 0.0 109.81 -179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.547 ' OG1' ' N ' ' A' ' 74' ' ' GLU . 2.8 t -111.19 -139.81 0.38 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.306 -0.871 . . . . 0.0 109.308 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.547 ' N ' ' OG1' ' A' ' 73' ' ' THR . 24.1 pt-20 -167.63 145.48 4.57 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.235 -0.915 . . . . 0.0 109.528 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.497 ' O ' ' N ' ' A' ' 77' ' ' ASP . 25.6 p-10 -79.27 49.08 0.93 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.27 -0.893 . . . . 0.0 109.257 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.461 ' N ' ' CD ' ' A' ' 76' ' ' GLU . 6.5 mp0 49.04 13.0 0.05 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.305 -0.872 . . . . 0.0 109.283 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.497 ' N ' ' O ' ' A' ' 75' ' ' ASP . 2.7 t70 -112.11 -2.73 14.91 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.38 -0.825 . . . . 0.0 109.517 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.97 43.43 10.97 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.546 -1.421 . . . . 0.0 109.546 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 80' ' ' LYS . 5.0 m-20 -130.89 92.03 3.16 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.251 -1.147 . . . . 0.0 109.453 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 79' ' ' ASN . 16.7 mttp -43.69 116.73 1.01 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.188 -0.945 . . . . 0.0 109.412 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 pp -136.18 141.8 44.08 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.287 -0.883 . . . . 0.0 109.31 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.575 ' CD1' ' N ' ' A' ' 82' ' ' LEU . 5.5 mp -81.21 130.71 35.15 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.207 -0.933 . . . . 0.0 109.805 -179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 7.6 p -123.27 100.74 7.0 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.475 -0.765 . . . . 0.0 109.291 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 45' ' ' LEU . 29.3 p90 -91.86 146.8 23.46 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.314 -0.866 . . . . 0.0 109.45 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.623 ' OD1' ' N ' ' A' ' 85' ' ' ASP . 0.1 OUTLIER -107.48 164.23 12.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.239 -0.913 . . . . 0.0 109.685 -179.728 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -143.01 128.61 19.15 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.355 -0.841 . . . . 0.0 109.158 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.55 139.44 43.31 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.153 -0.967 . . . . 0.0 109.792 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.424 ' HB2' ' CD2' ' A' ' 65' ' ' PHE . 0.8 OUTLIER -131.0 100.27 5.18 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.367 -0.833 . . . . 0.0 109.112 179.709 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -67.69 122.72 18.68 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.217 -0.927 . . . . 0.0 109.793 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 93.3 p -165.46 170.74 14.13 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.338 -0.851 . . . . 0.0 109.302 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.12 -179.11 0.27 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.173 -0.954 . . . . 0.0 109.512 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.7 tp -107.74 98.44 8.03 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.247 -0.908 . . . . 0.0 109.613 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.469 ' O ' ' C ' ' A' ' 94' ' ' ALA . 0.0 OUTLIER -142.08 107.41 5.01 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.198 -0.939 . . . . 0.0 109.282 179.769 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.605 ' HA ' HD12 ' A' ' 97' ' ' ILE . . . -38.67 -73.2 0.05 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.207 -0.933 . . . . 0.0 109.661 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.535 ' C ' ' O ' ' A' ' 94' ' ' ALA . 15.7 mmtt -32.73 -60.0 0.32 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.407 -0.808 . . . . 0.0 109.902 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.4 tp -49.77 -45.02 49.16 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.175 -0.953 . . . . 0.0 109.362 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.605 HD12 ' HA ' ' A' ' 94' ' ' ALA . 43.7 mt -59.03 -25.33 29.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.221 -0.925 . . . . 0.0 109.213 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -74.37 -42.23 59.66 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.254 -0.904 . . . . 0.0 109.242 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -63.97 -39.09 93.35 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.217 -0.927 . . . . 0.0 109.282 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -71.6 -48.89 45.16 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.292 -0.88 . . . . 0.0 109.234 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.555 HG13 ' CE2' ' A' ' 115' ' ' TYR . 12.3 t -57.4 -49.29 80.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 O-C-N 121.183 -0.948 . . . . 0.0 109.091 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -56.51 -44.11 80.41 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.2 -0.937 . . . . 0.0 108.954 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 4.8 mmtp -57.12 -43.81 82.7 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.436 -0.79 . . . . 0.0 108.884 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.5 ' CD1' ' CD2' ' A' ' 43' ' ' HIS . 43.4 mt -66.72 -26.99 67.27 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.356 -0.84 . . . . 0.0 109.014 179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.538 HG12 ' N ' ' A' ' 106' ' ' ASN . 2.8 t -72.15 -68.1 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.342 -0.849 . . . . 0.0 109.233 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.538 ' N ' HG12 ' A' ' 105' ' ' VAL . 69.1 m-80 -43.93 -35.69 2.12 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.235 -0.915 . . . . 0.0 109.128 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 110' ' ' LYS . 6.4 tp -69.95 -55.36 9.84 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.408 -0.808 . . . . 0.0 109.554 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 107' ' ' LEU . . . -44.36 -53.74 6.5 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.272 -0.893 . . . . 0.0 109.516 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -67.77 -23.12 65.19 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.241 -0.912 . . . . 0.0 109.447 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 107' ' ' LEU . 4.1 ttpp -63.55 -33.61 75.96 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.268 -0.895 . . . . 0.0 109.492 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.538 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 4.5 m-85 -102.36 -77.07 0.56 Allowed 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.253 -0.904 . . . . 0.0 109.493 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.538 ' OD1' ' O ' ' A' ' 111' ' ' PHE . 0.8 OUTLIER 168.45 32.93 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.325 -0.859 . . . . 0.0 109.361 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 12.9 pt -117.18 -179.9 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.273 -0.892 . . . . 0.0 109.339 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.1 tt -124.52 150.81 29.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.235 -0.915 . . . . 0.0 109.844 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.625 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 6.7 t80 -125.13 92.11 3.57 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.329 -0.857 . . . . 0.0 109.116 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -140.9 64.57 1.42 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.267 -0.895 . . . . 0.0 109.687 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.503 ' O ' ' ND1' ' A' ' 44' ' ' HIS . . . 177.53 84.78 0.06 OUTLIER Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.92 -1.272 . . . . 0.0 109.92 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -120.44 147.73 44.72 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.228 -1.16 . . . . 0.0 109.09 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.95 152.83 23.35 Favored Glycine 0 N--CA 1.491 2.329 0 C-N-CA 119.652 -1.261 . . . . 0.0 110.016 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 6.0 t -134.65 158.37 44.23 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.364 -1.08 . . . . 0.0 109.347 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.431 ' CE2' ' OE2' ' A' ' 42' ' ' GLU . 45.7 m-85 -130.84 159.28 37.82 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.192 -0.943 . . . . 0.0 109.557 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.747 ' CG ' ' N ' ' A' ' 123' ' ' GLU . 49.0 t80 -92.89 -178.65 4.89 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.249 -0.907 . . . . 0.0 109.565 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.747 ' N ' ' CG ' ' A' ' 122' ' ' TYR . 10.4 mt-10 -84.95 173.58 10.45 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.332 -0.855 . . . . 0.0 109.574 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.486 ' C ' ' O ' ' A' ' 123' ' ' GLU . . . 39.14 61.12 1.48 Allowed Glycine 0 N--CA 1.489 2.216 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.1 tt -131.07 117.92 19.82 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.207 -1.173 . . . . 0.0 109.34 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -89.58 -47.28 8.07 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.314 -0.866 . . . . 0.0 109.711 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -168.39 126.41 1.11 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.183 -0.948 . . . . 0.0 109.555 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -76.49 -69.77 0.49 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.197 -0.939 . . . . 0.0 109.48 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -60.75 143.86 53.55 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.248 -0.907 . . . . 0.0 109.461 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -100.18 102.95 14.39 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.194 -0.942 . . . . 0.0 109.444 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.507 ' CG ' ' H ' ' A' ' 132' ' ' HIS . 15.7 t-80 -111.8 -178.49 3.45 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.299 -0.876 . . . . 0.0 109.445 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.563 ' CD2' ' H ' ' A' ' 132' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 118.054 -0.974 . . . . 0.0 109.401 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.1 ttt . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.245 0.545 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.558 ' O ' ' CG ' ' A' ' 3' ' ' HIS . 1.8 t -142.88 -133.29 0.09 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.334 -0.854 . . . . 0.0 109.325 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.558 ' CG ' ' O ' ' A' ' 2' ' ' SER . 88.3 m-70 -157.71 -92.1 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.189 -0.945 . . . . 0.0 109.681 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -124.53 84.15 2.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.184 -0.947 . . . . 0.0 109.59 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.611 ' CG ' ' N ' ' A' ' 6' ' ' ASP . 2.0 t70 -74.19 176.99 6.1 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.172 -0.955 . . . . 0.0 109.288 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.611 ' N ' ' CG ' ' A' ' 5' ' ' ASP . 46.0 m-20 -84.98 114.83 22.44 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.175 -0.953 . . . . 0.0 109.47 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.587 ' CD2' ' O ' ' A' ' 7' ' ' TYR . 43.3 t80 -124.85 90.71 3.29 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.341 -0.849 . . . . 0.0 109.386 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.7 mt -55.87 -173.7 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.312 -0.868 . . . . 0.0 109.464 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -158.64 105.21 1.82 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.335 -0.853 . . . . 0.0 109.447 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.7 m -49.16 -19.05 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.266 -0.897 . . . . 0.0 109.434 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -63.47 -45.67 89.71 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.275 -0.891 . . . . 0.0 109.343 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 13' ' ' LEU . 1.2 mt-10 -75.09 -58.73 3.1 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.207 -0.933 . . . . 0.0 109.343 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 12' ' ' GLU . 14.6 mt -45.18 -40.7 7.47 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.203 -0.936 . . . . 0.0 109.28 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.597 ' CG2' ' HZ3' ' A' ' 18' ' ' LYS . 43.1 mt -64.35 -68.9 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.232 -0.917 . . . . 0.0 109.33 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.544 ' C ' ' O ' ' A' ' 14' ' ' ILE . 3.8 mm-40 -35.68 -42.25 0.24 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.252 -0.905 . . . . 0.0 109.396 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 32.7 mt -67.43 -62.02 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.179 -0.95 . . . . 0.0 109.332 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 31.2 mm100 -46.29 -36.95 6.73 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.125 -0.985 . . . . 0.0 109.186 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.597 ' HZ3' ' CG2' ' A' ' 14' ' ' ILE . 20.7 mttp -60.93 -63.64 1.23 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.217 -0.927 . . . . 0.0 109.032 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.683 ' N ' HH21 ' A' ' 22' ' ' ARG . 3.5 tt0 -49.51 -60.77 2.56 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.361 -0.837 . . . . 0.0 109.215 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 23' ' ' ASP . 15.1 tt0 -45.62 -64.84 0.64 Allowed 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.247 -0.908 . . . . 0.0 109.163 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.483 ' C ' ' O ' ' A' ' 20' ' ' GLU . 47.9 m -38.45 -65.49 0.34 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.38 -0.825 . . . . 0.0 109.416 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.683 HH21 ' N ' ' A' ' 19' ' ' GLU . 13.3 mtm180 -43.25 -35.3 1.4 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.279 -0.888 . . . . 0.0 109.192 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.516 ' N ' ' O ' ' A' ' 20' ' ' GLU . 7.0 t0 -59.93 -48.05 83.28 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.355 -0.841 . . . . 0.0 109.358 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.468 ' O ' ' C ' ' A' ' 25' ' ' ILE . 54.4 mt -66.69 -59.68 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.271 -0.893 . . . . 0.0 109.317 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.494 ' N ' HD13 ' A' ' 25' ' ' ILE . 5.4 mm -40.53 -51.03 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.202 -0.936 . . . . 0.0 109.266 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -52.86 -50.82 63.03 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.234 -0.916 . . . . 0.0 109.481 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.507 ' O ' ' OD1' ' A' ' 31' ' ' ASP . . . -59.46 -69.28 0.21 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.203 -0.936 . . . . 0.0 109.463 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.502 ' C ' ' O ' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -36.93 -36.4 0.12 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.324 -0.86 . . . . 0.0 109.314 179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 27' ' ' ALA . 1.6 mp -71.49 -46.81 58.81 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.277 -0.889 . . . . 0.0 109.375 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 27' ' ' ALA . 4.5 tt0 -62.89 -32.44 73.7 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.303 -0.873 . . . . 0.0 109.361 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.662 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 0.1 OUTLIER -64.72 -29.91 70.9 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.331 -0.856 . . . . 0.0 109.552 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 109.95 21.91 6.84 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.461 -1.455 . . . . 0.0 109.461 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m -55.86 -170.98 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.295 -1.12 . . . . 0.0 109.576 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -143.96 87.6 7.96 Favored Pre-proline 0 N--CA 1.491 1.586 0 O-C-N 121.295 -0.878 . . . . 0.0 109.52 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.437 ' C ' ' H ' ' A' ' 37' ' ' ALA . 52.3 Cg_exo -51.56 -34.64 53.15 Favored 'Trans proline' 0 C--N 1.304 -1.772 0 C-N-CA 122.968 2.445 . . . . 0.0 112.423 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -71.74 11.55 0.49 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.139 -0.976 . . . . 0.0 109.733 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.437 ' H ' ' C ' ' A' ' 35' ' ' PRO . . . -109.7 13.82 23.58 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.157 -0.965 . . . . 0.0 109.646 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 64.6 143.48 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.226 -0.922 . . . . 0.0 109.435 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -131.44 150.5 52.13 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.211 -0.93 . . . . 0.0 109.478 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.423 ' HB3' HE21 ' A' ' 89' ' ' GLN . 1.2 mp0 -104.99 120.18 40.83 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.309 -0.87 . . . . 0.0 109.208 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.401 ' N ' HD13 ' A' ' 41' ' ' ILE . 4.8 mm -93.22 137.98 21.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.195 -0.941 . . . . 0.0 109.542 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.32 137.01 52.13 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.21 -0.931 . . . . 0.0 109.402 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.404 ' HB2' ' HB3' ' A' ' 86' ' ' ALA . 32.9 m-70 -129.57 126.36 38.33 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.23 -0.919 . . . . 0.0 109.594 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -106.05 113.78 27.53 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.276 -0.89 . . . . 0.0 109.403 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.488 ' C ' ' CD1' ' A' ' 46' ' ' PHE . 1.4 mp -118.91 148.12 43.27 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.229 -0.919 . . . . 0.0 109.567 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.508 ' CD1' ' N ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -133.43 159.77 39.37 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.362 -0.836 . . . . 0.0 109.425 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.544 ' HB2' HG22 ' A' ' 113' ' ' ILE . . . -142.49 160.42 40.32 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.308 -0.87 . . . . 0.0 109.609 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.522 ' OE2' ' ND2' ' A' ' 79' ' ' ASN . 3.5 tp10 -97.81 -12.46 22.18 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.281 -0.887 . . . . 0.0 109.368 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -117.9 124.41 48.21 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.272 -0.893 . . . . 0.0 109.421 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.751 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -59.92 -28.99 68.07 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.212 -0.93 . . . . 0.0 109.307 179.861 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.86 -45.72 49.3 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.331 -0.856 . . . . 0.0 109.099 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -19.91 66.2 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.326 -0.859 . . . . 0.0 108.915 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.469 ' C ' HD23 ' A' ' 53' ' ' LEU . 8.6 tt -74.99 -53.43 8.95 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.409 -0.807 . . . . 0.0 109.363 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -61.91 -36.41 81.27 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.339 -0.85 . . . . 0.0 109.562 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -63.97 -64.45 0.89 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.267 -0.896 . . . . 0.0 109.728 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.48 -50.35 72.0 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.254 -0.904 . . . . 0.0 109.789 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.645 ' HB1' HG21 ' A' ' 67' ' ' VAL . . . -53.52 -45.97 69.96 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.213 -0.93 . . . . 0.0 109.586 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.511 HG12 ' N ' ' A' ' 59' ' ' GLU . 2.3 t -52.63 -62.49 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.25 -0.906 . . . . 0.0 109.538 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.511 ' N ' HG12 ' A' ' 58' ' ' VAL . 3.2 tt0 -50.01 -25.05 3.0 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.206 -0.934 . . . . 0.0 109.618 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.505 ' HB3' ' O ' ' A' ' 57' ' ' ALA . . . -71.65 -49.24 41.79 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.22 -0.925 . . . . 0.0 109.67 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.603 ' CD1' ' C ' ' A' ' 61' ' ' PHE . 1.5 t80 -63.75 -32.58 74.13 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.276 -0.89 . . . . 0.0 109.615 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -69.46 -33.53 73.04 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.157 -0.964 . . . . 0.0 109.59 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 8.1 mtm -72.13 -47.11 53.48 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.295 -0.878 . . . . 0.0 109.591 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 146.62 15.23 0.16 Allowed Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.693 -1.363 . . . . 0.0 109.693 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 67' ' ' VAL . 77.5 m-85 -97.01 112.38 24.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.26 -1.141 . . . . 0.0 109.422 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -59.45 84.63 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.272 -0.892 . . . . 0.0 109.406 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.645 HG21 ' HB1' ' A' ' 57' ' ' ALA . 5.0 p -63.1 137.55 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.398 -0.813 . . . . 0.0 109.655 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.63 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.5 OUTLIER -114.81 139.88 49.38 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.211 -0.93 . . . . 0.0 109.252 179.668 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.546 ' CD ' ' H ' ' A' ' 70' ' ' ALA . 15.7 tp10 -47.83 150.88 0.99 Allowed 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.263 -0.898 . . . . 0.0 109.412 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.546 ' H ' ' CD ' ' A' ' 69' ' ' GLU . . . -102.61 162.91 12.55 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.253 -0.904 . . . . 0.0 109.66 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -125.13 139.56 53.66 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.397 -0.814 . . . . 0.0 109.165 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.578 ' N ' ' OE2' ' A' ' 72' ' ' GLU . 1.1 pm0 -61.12 121.73 13.22 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.285 -0.884 . . . . 0.0 109.681 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.5 t -126.53 -165.61 1.47 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.225 -0.922 . . . . 0.0 109.263 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -140.82 138.32 33.95 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.124 -0.985 . . . . 0.0 109.614 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.643 ' OD1' ' N ' ' A' ' 78' ' ' GLY . 43.1 p-10 -91.58 -174.61 3.93 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.274 -0.891 . . . . 0.0 109.261 179.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -75.06 30.05 0.09 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.21 -0.931 . . . . 0.0 109.417 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.479 ' H ' ' C ' ' A' ' 75' ' ' ASP . 9.5 t0 -147.41 -49.08 0.18 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.246 -0.909 . . . . 0.0 109.484 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.643 ' N ' ' OD1' ' A' ' 75' ' ' ASP . . . 118.04 54.93 0.29 Allowed Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.531 -1.428 . . . . 0.0 109.531 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.522 ' ND2' ' OE2' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -101.96 -1.19 32.46 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.247 -1.149 . . . . 0.0 109.62 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.486 ' O ' ' O ' ' A' ' 79' ' ' ASN . 0.0 OUTLIER 45.32 95.1 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.135 -0.978 . . . . 0.0 109.379 179.876 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.919 ' H ' HD12 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -129.46 165.47 21.54 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.206 -0.934 . . . . 0.0 109.644 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.674 ' N ' HD12 ' A' ' 82' ' ' LEU . 8.1 mp -107.55 139.89 41.39 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.317 -0.864 . . . . 0.0 109.419 179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.468 ' N ' ' HB1' ' A' ' 70' ' ' ALA . 2.3 t -125.45 107.73 10.95 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.254 -0.903 . . . . 0.0 109.832 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.625 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.8 OUTLIER -93.27 151.33 19.87 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.29 -0.881 . . . . 0.0 108.985 179.393 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.63 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.7 OUTLIER -103.79 150.6 23.95 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.117 -0.989 . . . . 0.0 109.702 -179.735 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.404 ' HB3' ' HB2' ' A' ' 43' ' ' HIS . . . -130.24 140.15 50.73 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.399 -0.813 . . . . 0.0 109.427 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.9 143.74 50.69 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.232 -0.917 . . . . 0.0 109.537 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.13 115.76 5.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.222 -0.924 . . . . 0.0 109.518 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.423 HE21 ' HB3' ' A' ' 40' ' ' GLU . 6.2 mp0 -76.09 133.77 40.2 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.224 -0.923 . . . . 0.0 109.416 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.3 p -167.58 161.73 13.83 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.157 -0.965 . . . . 0.0 109.485 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.83 133.74 49.72 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.209 -0.932 . . . . 0.0 109.467 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.48 85.01 0.1 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.23 -0.919 . . . . 0.0 109.382 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.24 126.4 31.46 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.173 -0.954 . . . . 0.0 109.525 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -46.0 -59.82 2.63 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.201 -0.937 . . . . 0.0 109.463 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 94' ' ' ALA . 2.0 mmtp -44.57 -48.53 10.31 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.257 -0.902 . . . . 0.0 109.494 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 mp -58.5 -55.77 30.8 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.173 -0.955 . . . . 0.0 109.645 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.432 ' O ' HG23 ' A' ' 101' ' ' VAL . 56.6 mt -57.14 -23.05 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.295 -0.878 . . . . 0.0 109.774 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -67.96 -54.83 15.61 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.137 -0.977 . . . . 0.0 109.392 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -67.68 -35.83 79.56 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.204 -0.935 . . . . 0.0 109.455 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -60.18 -50.94 71.68 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.242 -0.911 . . . . 0.0 109.438 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.571 HG13 ' CE2' ' A' ' 115' ' ' TYR . 91.4 t -64.24 -44.42 97.39 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.325 -0.86 . . . . 0.0 109.617 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -56.47 -29.31 61.59 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.185 -0.947 . . . . 0.0 109.468 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -72.6 -46.84 52.28 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.238 -0.914 . . . . 0.0 109.54 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.401 ' HA ' HD23 ' A' ' 104' ' ' LEU . 96.7 mt -67.97 -38.82 83.21 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.186 -0.946 . . . . 0.0 109.506 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.3 t -66.75 -36.88 78.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.263 -0.898 . . . . 0.0 109.23 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -65.66 -59.14 4.23 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.22 -0.925 . . . . 0.0 109.29 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.44 ' CD1' ' OE2' ' A' ' 59' ' ' GLU . 1.6 tp -57.99 -35.91 71.89 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.286 -0.884 . . . . 0.0 109.142 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.06 -58.22 6.64 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.29 -0.881 . . . . 0.0 109.735 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.84 -19.41 62.56 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.213 -0.929 . . . . 0.0 109.782 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -82.11 -23.81 35.48 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.202 -0.936 . . . . 0.0 109.679 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.558 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 0.6 OUTLIER -99.31 -77.34 0.52 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.108 -0.995 . . . . 0.0 109.879 -179.74 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.558 ' OD1' ' O ' ' A' ' 111' ' ' PHE . 3.2 m-20 162.49 36.9 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.104 -0.997 . . . . 0.0 109.55 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.544 HG22 ' HB2' ' A' ' 47' ' ' ALA . 16.7 pt -120.46 172.8 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.302 -0.874 . . . . 0.0 109.189 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.5 tt -112.89 135.01 53.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.158 -0.964 . . . . 0.0 109.519 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.641 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 20.4 t80 -106.93 89.61 3.05 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.198 -0.939 . . . . 0.0 109.412 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -146.2 78.19 1.51 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.24 -0.912 . . . . 0.0 109.55 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 170.48 62.66 0.04 OUTLIER Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.908 -1.277 . . . . 0.0 109.908 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.672 ' CE3' ' N ' ' A' ' 119' ' ' GLY . 2.3 p-90 -112.41 164.85 12.77 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.159 -1.201 . . . . 0.0 109.165 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.672 ' N ' ' CE3' ' A' ' 118' ' ' TRP . . . 168.5 159.61 14.52 Favored Glycine 0 N--CA 1.491 2.329 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -116.18 166.11 12.4 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.36 -1.082 . . . . 0.0 109.372 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 123' ' ' GLU . 0.5 OUTLIER -126.77 158.01 37.66 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.187 -0.945 . . . . 0.0 109.468 179.823 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.476 ' O ' ' C ' ' A' ' 123' ' ' GLU . 9.8 m-85 -65.07 77.43 0.05 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.218 -0.926 . . . . 0.0 109.681 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.561 ' O ' ' O ' ' A' ' 124' ' ' GLY . 20.2 tt0 40.12 55.51 2.66 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.229 -0.92 . . . . 0.0 109.671 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.561 ' O ' ' O ' ' A' ' 123' ' ' GLU . . . 57.41 136.95 0.01 OUTLIER Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 13.3 tp -174.53 120.53 0.24 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.26 -1.141 . . . . 0.0 109.472 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -142.56 79.12 1.64 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.243 -0.91 . . . . 0.0 109.501 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -174.7 68.77 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.32 -0.862 . . . . 0.0 109.229 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -138.82 -167.37 2.2 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.333 -0.854 . . . . 0.0 109.476 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.468 ' ND1' ' N ' ' A' ' 129' ' ' HIS . 0.5 OUTLIER -97.52 -155.69 0.5 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.311 -0.868 . . . . 0.0 109.381 179.895 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.603 ' O ' ' CD2' ' A' ' 130' ' ' HIS . 10.5 t-160 -167.07 -0.57 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.2 -0.938 . . . . 0.0 109.593 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -80.92 93.45 6.31 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.215 -0.928 . . . . 0.0 109.443 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 12.8 p-80 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 118.039 -0.982 . . . . 0.0 109.438 -179.893 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.577 ' O ' ' O ' ' A' ' 2' ' ' SER . 7.1 tpp . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.577 ' O ' ' O ' ' A' ' 1' ' ' MET . 0.7 OUTLIER -55.89 -147.0 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.294 -0.879 . . . . 0.0 109.53 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -103.12 138.44 39.95 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.168 -0.957 . . . . 0.0 109.482 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.479 ' C ' ' CG ' ' A' ' 5' ' ' ASP . 0.7 OUTLIER -102.95 -84.28 0.46 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.331 -0.856 . . . . 0.0 109.451 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.555 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 0.0 OUTLIER 175.23 -70.79 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.238 -0.913 . . . . 0.0 109.302 -179.877 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.41 136.49 33.84 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.222 -0.924 . . . . 0.0 109.368 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -87.26 135.02 33.47 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.27 -0.894 . . . . 0.0 109.538 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 mt 59.63 166.57 0.06 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.277 -0.889 . . . . 0.0 109.669 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.576 ' O ' ' N ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -173.8 -73.94 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.32 -0.862 . . . . 0.0 109.315 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.462 ' C ' ' O ' ' A' ' 9' ' ' SER . 91.6 t -41.47 -27.42 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.265 -0.897 . . . . 0.0 109.424 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 9' ' ' SER . 5.9 tp10 -74.43 -30.59 61.96 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.257 -0.902 . . . . 0.0 109.408 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.576 ' N ' ' O ' ' A' ' 9' ' ' SER . 5.4 mm-40 -68.46 -43.6 76.65 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.321 -0.862 . . . . 0.0 109.386 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.414 ' HB3' ' NE2' ' A' ' 17' ' ' GLN . 30.0 mt -63.78 -62.14 1.84 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.39 -0.819 . . . . 0.0 109.552 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 27.8 mt -49.84 -51.83 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.241 -0.912 . . . . 0.0 109.771 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -44.54 -64.31 0.72 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.305 -0.872 . . . . 0.0 109.948 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.526 ' O ' ' C ' ' A' ' 17' ' ' GLN . 72.1 mt -59.72 -59.9 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.162 -0.961 . . . . 0.0 109.735 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.526 ' C ' ' O ' ' A' ' 16' ' ' ILE . 29.6 mt-30 -35.96 -35.28 0.06 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.187 -0.946 . . . . 0.0 109.571 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.5 ' O ' ' C ' ' A' ' 19' ' ' GLU . 62.9 mttt -72.24 -67.85 0.51 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.267 -0.896 . . . . 0.0 109.29 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.5 ' C ' ' O ' ' A' ' 18' ' ' LYS . 5.8 mt-10 -39.66 -35.77 0.35 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.225 -0.922 . . . . 0.0 109.187 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.556 ' O ' ' N ' ' A' ' 23' ' ' ASP . 12.2 mm-40 -67.8 -64.96 0.75 Allowed 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.363 -0.836 . . . . 0.0 109.314 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.507 ' C ' ' O ' ' A' ' 20' ' ' GLU . 32.0 m -37.56 -46.29 0.83 Allowed 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.255 -0.903 . . . . 0.0 109.208 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.7 ' CG ' HH11 ' A' ' 22' ' ' ARG . 0.7 OUTLIER -59.71 -40.31 87.55 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.248 -0.908 . . . . 0.0 109.362 179.823 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.556 ' N ' ' O ' ' A' ' 20' ' ' GLU . 22.4 t0 -61.07 -44.49 97.29 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.313 -0.867 . . . . 0.0 109.281 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 70.9 mt -67.13 -64.25 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.254 -0.904 . . . . 0.0 109.378 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.401 HD13 HG22 ' A' ' 21' ' ' THR . 1.6 mp -46.28 -37.71 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 O-C-N 121.247 -0.908 . . . . 0.0 109.274 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.551 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -61.43 -42.9 99.47 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.284 -0.885 . . . . 0.0 109.38 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.16 -50.78 64.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.34 -0.85 . . . . 0.0 109.399 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.483 HD22 ' OH ' ' A' ' 39' ' ' TYR . 15.4 mt -54.16 -62.02 1.93 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.218 -0.926 . . . . 0.0 109.341 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.472 HD13 ' HA ' ' A' ' 29' ' ' LEU . 3.7 mm? -48.65 -50.01 34.88 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.152 -0.967 . . . . 0.0 109.017 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.562 ' OE2' ' O ' ' A' ' 30' ' ' GLU . 6.5 tp10 -51.61 -40.58 60.13 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.312 -0.868 . . . . 0.0 109.27 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.22 -48.49 81.26 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.295 -0.878 . . . . 0.0 109.441 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 131.5 14.7 1.7 Allowed Glycine 0 N--CA 1.49 2.286 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.1 164.31 26.78 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.195 -1.18 . . . . 0.0 109.439 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -132.31 156.06 80.55 Favored Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 121.144 -0.972 . . . . 0.0 109.68 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -70.36 4.61 2.35 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.884 2.389 . . . . 0.0 111.966 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 36' ' ' ASP . 0.7 OUTLIER -92.03 -6.63 50.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.29 -0.881 . . . . 0.0 109.559 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.431 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -98.99 11.88 37.65 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.246 -0.909 . . . . 0.0 109.687 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 38' ' ' LEU . 3.8 mm? 54.43 171.6 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.123 -0.986 . . . . 0.0 109.542 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.573 ' CZ ' ' CD ' ' A' ' 123' ' ' GLU . 1.5 m-85 -154.28 150.61 28.19 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.204 -0.935 . . . . 0.0 109.412 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.605 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 4.6 mp0 -104.7 119.93 40.16 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.202 -0.936 . . . . 0.0 109.72 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.649 HD12 ' N ' ' A' ' 41' ' ' ILE . 2.0 mp -106.27 128.08 61.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.337 -0.852 . . . . 0.0 109.139 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -116.76 135.54 53.67 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.121 -0.987 . . . . 0.0 109.875 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.47 ' ND1' ' HB2' ' A' ' 118' ' ' TRP . 90.3 m-70 -116.89 149.63 39.78 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.335 -0.853 . . . . 0.0 109.152 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 44.3 m170 -118.02 131.67 56.45 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.21 -0.931 . . . . 0.0 109.811 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.888 ' N ' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -141.66 132.65 26.05 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.289 -0.882 . . . . 0.0 109.365 179.761 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.74 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -125.45 163.58 22.34 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.206 -0.934 . . . . 0.0 109.475 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.557 ' HB1' ' HE2' ' A' ' 52' ' ' LYS . . . -150.12 166.61 29.27 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.259 -0.9 . . . . 0.0 109.573 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -103.63 -34.0 8.78 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.243 -0.911 . . . . 0.0 109.404 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.557 ' H ' ' HZ1' ' A' ' 52' ' ' LYS . 92.3 m-20 -99.53 109.73 22.24 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.352 -0.843 . . . . 0.0 109.318 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -50.31 -22.8 1.95 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.216 -0.928 . . . . 0.0 109.678 -179.81 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -60.04 -67.36 0.4 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.144 -0.972 . . . . 0.0 109.67 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.557 ' HE2' ' HB1' ' A' ' 47' ' ' ALA . 5.5 pttt -60.92 -32.56 72.04 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.256 -0.902 . . . . 0.0 109.814 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.512 HD12 ' HB3' ' A' ' 47' ' ' ALA . 7.3 tt -55.4 -43.95 75.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.301 -0.874 . . . . 0.0 109.79 -179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.09 -46.73 61.23 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.136 -0.978 . . . . 0.0 109.766 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 111' ' ' PHE . 7.4 mtpp -57.29 -43.26 83.02 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.217 -0.927 . . . . 0.0 109.829 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.39 -37.61 80.55 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.195 -0.941 . . . . 0.0 109.904 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.85 -49.28 68.73 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.133 -0.98 . . . . 0.0 109.67 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.5 t -53.69 -61.78 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.262 -0.899 . . . . 0.0 109.621 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -47.07 -45.14 21.61 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.284 -0.885 . . . . 0.0 109.66 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.419 ' HA ' ' SD ' ' A' ' 63' ' ' MET . . . -57.72 -45.22 86.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.175 -0.953 . . . . 0.0 109.497 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 61' ' ' PHE . 21.8 t80 -55.84 -41.31 74.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.239 -0.913 . . . . 0.0 109.55 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.6 tttm -74.78 -24.43 58.66 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.235 -0.916 . . . . 0.0 109.459 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.419 ' SD ' ' HA ' ' A' ' 60' ' ' ALA . 19.8 mtp -75.19 -42.86 54.78 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.265 -0.897 . . . . 0.0 109.494 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.69 ' O ' ' CG ' ' A' ' 65' ' ' PHE . . . 133.9 75.27 0.09 OUTLIER Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.69 ' CG ' ' O ' ' A' ' 64' ' ' GLY . 97.3 m-85 -164.23 108.37 0.96 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.235 -1.156 . . . . 0.0 109.527 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 87' ' ' THR . 2.7 mm-40 -58.03 85.11 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.149 -0.969 . . . . 0.0 109.194 179.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.509 ' N ' ' O ' ' A' ' 65' ' ' PHE . 2.1 p -60.91 140.2 19.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.27 -0.894 . . . . 0.0 109.967 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 tp -119.84 146.02 46.11 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.318 -0.864 . . . . 0.0 109.256 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.456 ' HG3' ' H ' ' A' ' 70' ' ' ALA . 6.5 tt0 -48.02 158.9 0.21 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.288 -0.883 . . . . 0.0 109.836 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.608 ' HB1' ' H ' ' A' ' 83' ' ' CYS . . . -100.48 169.67 8.92 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.392 -0.817 . . . . 0.0 109.385 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.543 ' O ' ' C ' ' A' ' 72' ' ' GLU . 4.5 tt0 -135.65 109.62 8.2 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.282 -0.886 . . . . 0.0 109.575 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.547 ' CD ' ' O ' ' A' ' 72' ' ' GLU . 1.4 pp20? -35.55 112.32 0.16 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.396 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.671 ' OG1' ' N ' ' A' ' 74' ' ' GLU . 0.7 OUTLIER -125.28 -133.52 0.26 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.173 -0.954 . . . . 0.0 109.529 -179.817 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.671 ' N ' ' OG1' ' A' ' 73' ' ' THR . 2.0 pt-20 -170.59 135.38 1.16 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.234 -0.916 . . . . 0.0 109.491 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 74' ' ' GLU . 2.8 m-20 -50.87 -95.76 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.239 -0.913 . . . . 0.0 109.375 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.493 ' O ' ' OD1' ' A' ' 77' ' ' ASP . 1.3 tt0 -141.66 26.61 1.91 Allowed 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.174 -0.954 . . . . 0.0 109.451 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.493 ' OD1' ' O ' ' A' ' 76' ' ' GLU . 85.2 m-20 -137.19 -51.51 0.66 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.256 -0.902 . . . . 0.0 109.43 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 149.97 41.8 0.03 OUTLIER Glycine 0 N--CA 1.49 2.289 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -98.97 159.37 15.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.198 -1.178 . . . . 0.0 109.399 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -104.18 103.06 12.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.121 -0.987 . . . . 0.0 109.55 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 pp -127.77 168.81 14.61 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.209 -0.932 . . . . 0.0 109.477 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 82' ' ' LEU . 4.9 mp -101.76 137.89 39.46 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.249 -0.907 . . . . 0.0 109.638 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.608 ' H ' ' HB1' ' A' ' 70' ' ' ALA . 0.1 OUTLIER -135.68 99.89 4.32 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.319 -0.863 . . . . 0.0 109.563 -179.849 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.556 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 2.0 p90 -91.53 159.55 15.87 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.069 -1.02 . . . . 0.0 109.179 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -111.07 168.38 9.54 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.169 -0.957 . . . . 0.0 109.983 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.69 ' HB1' ' HB3' ' A' ' 65' ' ' PHE . . . -142.47 115.18 8.62 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.427 -0.796 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -98.8 153.52 18.7 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.276 -0.89 . . . . 0.0 109.461 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.4 tpt -156.88 103.4 2.06 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.255 -0.903 . . . . 0.0 109.424 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.35 120.41 15.97 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.257 -0.902 . . . . 0.0 109.281 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 91' ' ' ALA . 1.0 OUTLIER -155.2 155.02 33.15 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.186 -0.946 . . . . 0.0 109.603 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.43 ' O ' ' O ' ' A' ' 90' ' ' SER . . . -53.32 -173.36 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.193 -0.942 . . . . 0.0 109.382 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.467 ' HB2' ' CD1' ' A' ' 39' ' ' TYR . 4.1 tp -113.02 110.13 19.98 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.284 -0.885 . . . . 0.0 109.53 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -159.36 122.94 3.74 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.236 -0.915 . . . . 0.0 109.463 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -52.8 -45.15 67.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.314 -0.866 . . . . 0.0 109.385 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.594 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.8 OUTLIER -57.06 -67.77 0.29 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.223 -0.923 . . . . 0.0 109.455 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.465 HD22 ' HA ' ' A' ' 96' ' ' LEU . 0.2 OUTLIER -41.76 -50.36 4.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.206 -0.934 . . . . 0.0 109.374 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 45.6 mt -62.92 -20.58 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.333 -0.855 . . . . 0.0 109.545 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.594 ' N ' ' O ' ' A' ' 95' ' ' LYS . 33.0 t0 -72.92 -39.6 66.15 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.187 -0.946 . . . . 0.0 109.378 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.63 -45.76 28.7 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.256 -0.902 . . . . 0.0 109.266 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -54.25 -50.31 67.51 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.245 -0.909 . . . . 0.0 109.225 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.481 ' O ' ' C ' ' A' ' 102' ' ' GLU . 70.9 t -61.87 -58.82 5.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.322 -0.862 . . . . 0.0 109.121 179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.587 ' OE2' ' ND2' ' A' ' 106' ' ' ASN . 1.5 tm-20 -41.06 -41.52 1.73 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.258 -0.901 . . . . 0.0 109.098 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -62.06 -43.32 99.09 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.276 -0.89 . . . . 0.0 109.262 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.456 ' HA ' HD23 ' A' ' 104' ' ' LEU . 21.9 mt -64.16 -63.78 1.06 Allowed 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.304 -0.872 . . . . 0.0 109.278 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 14.2 t -44.74 -36.85 1.45 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.31 -0.869 . . . . 0.0 109.501 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.587 ' ND2' ' OE2' ' A' ' 102' ' ' GLU . 11.3 m-80 -63.34 -51.15 67.14 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.247 -0.908 . . . . 0.0 109.461 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 110' ' ' LYS . 15.7 tp -66.14 -53.31 39.34 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.257 -0.902 . . . . 0.0 109.406 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 107' ' ' LEU . . . -44.98 -44.08 9.58 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.298 -0.876 . . . . 0.0 109.576 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -79.01 -16.86 56.31 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.301 -0.875 . . . . 0.0 109.562 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 107' ' ' LEU . 2.6 tmtm? -75.25 -26.79 59.14 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.293 -0.879 . . . . 0.0 109.768 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 55' ' ' LYS . 5.5 m-85 -100.44 -77.41 0.53 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.1 -1.0 . . . . 0.0 109.776 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.473 ' CG ' ' O ' ' A' ' 111' ' ' PHE . 0.9 OUTLIER 167.23 34.13 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.971 -1.08 . . . . 0.0 109.921 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.7 pt -118.28 167.92 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.052 -1.03 . . . . 0.0 109.519 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -112.78 101.14 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.321 -0.862 . . . . 0.0 109.346 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.594 ' C ' ' CD1' ' A' ' 115' ' ' TYR . 0.2 OUTLIER -91.72 113.53 25.82 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.347 -0.846 . . . . 0.0 109.486 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.576 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 12.2 p-10 -160.84 80.03 0.63 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.233 -0.917 . . . . 0.0 109.424 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 170.87 84.61 0.06 OUTLIER Glycine 0 N--CA 1.492 2.372 0 N-CA-C 109.587 -1.405 . . . . 0.0 109.587 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.47 ' HB2' ' ND1' ' A' ' 43' ' ' HIS . 8.8 p-90 -120.0 151.02 39.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.242 -1.152 . . . . 0.0 109.549 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -164.26 159.86 32.78 Favored Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.536 ' OG1' ' O ' ' A' ' 40' ' ' GLU . 2.3 t -133.47 167.33 20.63 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.128 -1.219 . . . . 0.0 109.586 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.524 ' CD1' ' N ' ' A' ' 121' ' ' TYR . 10.4 m-85 -109.73 158.27 18.28 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.241 -0.912 . . . . 0.0 109.432 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.682 ' CE2' ' O ' ' A' ' 123' ' ' GLU . 57.1 t80 -68.16 179.9 1.43 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.211 -0.931 . . . . 0.0 109.215 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.682 ' O ' ' CE2' ' A' ' 122' ' ' TYR . 1.6 mp0 -102.75 134.93 45.33 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.25 -0.906 . . . . 0.0 109.46 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 59.76 95.54 0.01 OUTLIER Glycine 0 N--CA 1.49 2.247 0 N-CA-C 109.431 -1.467 . . . . 0.0 109.431 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.52 HD23 ' N ' ' A' ' 125' ' ' LEU . 0.1 OUTLIER -126.17 100.43 6.32 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.223 -1.163 . . . . 0.0 109.558 -179.74 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -50.76 103.67 0.06 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.247 -0.908 . . . . 0.0 109.219 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -160.94 28.86 0.14 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.245 -0.909 . . . . 0.0 109.611 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.658 ' O ' ' ND1' ' A' ' 129' ' ' HIS . 3.9 t-80 -145.02 -163.54 1.73 Allowed 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.257 -0.902 . . . . 0.0 109.439 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.658 ' ND1' ' O ' ' A' ' 128' ' ' HIS . 0.6 OUTLIER 41.21 63.62 1.18 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.086 -1.009 . . . . 0.0 109.282 -179.892 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -138.33 146.47 42.41 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.219 -0.926 . . . . 0.0 109.624 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.47 ' HB2' ' CE1' ' A' ' 132' ' ' HIS . 14.8 m80 -58.38 -80.37 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.322 -0.861 . . . . 0.0 109.419 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.659 ' ND1' ' N ' ' A' ' 132' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 118.053 -0.975 . . . . 0.0 109.43 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mmt . . . . . 0 N--CA 1.489 1.525 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.604 ' OG ' ' N ' ' A' ' 3' ' ' HIS . 12.4 t -96.29 -160.46 0.8 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.29 -0.881 . . . . 0.0 109.396 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.604 ' N ' ' OG ' ' A' ' 2' ' ' SER . 1.1 t60 -108.23 138.44 44.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.213 -0.929 . . . . 0.0 109.419 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.622 ' C ' ' H ' ' A' ' 6' ' ' ASP . 1.8 pt20 -157.44 -8.71 0.09 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.279 -0.888 . . . . 0.0 109.556 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' A' ' 6' ' ' ASP . 5.2 t70 -62.75 12.93 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.294 -0.879 . . . . 0.0 109.442 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.622 ' H ' ' C ' ' A' ' 4' ' ' GLN . 4.4 m-20 -143.79 -39.35 0.3 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.184 -0.947 . . . . 0.0 109.589 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -95.05 62.12 2.54 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.245 -0.909 . . . . 0.0 109.813 -179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.4 mt -66.28 -165.42 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.143 -0.973 . . . . 0.0 109.189 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.3 m -168.62 86.78 0.19 Allowed 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.198 -0.939 . . . . 0.0 109.468 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 25.2 m -51.74 -33.98 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.254 -0.904 . . . . 0.0 109.343 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -47.47 -37.98 12.81 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.366 -0.834 . . . . 0.0 109.708 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.51 ' O ' ' C ' ' A' ' 13' ' ' LEU . 2.7 mm-40 -74.83 -65.76 0.83 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.16 -0.963 . . . . 0.0 109.511 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.51 ' C ' ' O ' ' A' ' 12' ' ' GLU . 1.4 mt -37.25 -37.46 0.18 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.269 -0.894 . . . . 0.0 109.712 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.0 mt -68.9 -55.49 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.151 -0.968 . . . . 0.0 109.58 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.43 -53.87 39.62 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.24 -0.913 . . . . 0.0 109.492 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 67.3 mt -48.61 -58.91 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.25 -0.906 . . . . 0.0 109.788 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.457 ' O ' ' C ' ' A' ' 18' ' ' LYS . 0.6 OUTLIER -51.14 -53.37 35.07 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.321 -0.862 . . . . 0.0 109.707 -179.614 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 17' ' ' GLN . 14.3 mtmt -40.66 -50.02 3.04 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.207 -0.933 . . . . 0.0 109.982 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -72.46 -49.98 29.45 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.224 -0.922 . . . . 0.0 110.006 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -49.75 -60.09 3.21 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.167 -0.958 . . . . 0.0 109.891 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.535 ' O ' ' N ' ' A' ' 24' ' ' ILE . 5.5 m -53.0 -60.43 3.29 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.233 -0.917 . . . . 0.0 109.656 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.532 ' C ' ' O ' ' A' ' 21' ' ' THR . 6.6 mmm180 -35.89 -45.99 0.44 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.154 -0.966 . . . . 0.0 109.528 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -61.49 -42.48 98.85 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.253 -0.904 . . . . 0.0 109.383 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.535 ' N ' ' O ' ' A' ' 21' ' ' THR . 27.8 mt -66.39 -66.92 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.293 -0.879 . . . . 0.0 109.566 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.52 HG12 HG22 ' A' ' 21' ' ' THR . 12.2 mm -44.09 -33.3 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.152 -0.968 . . . . 0.0 109.488 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.403 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 14.6 mm-40 -69.19 -61.25 1.87 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.276 -0.89 . . . . 0.0 109.394 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.71 -49.61 19.2 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.282 -0.886 . . . . 0.0 109.447 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.523 ' O ' ' C ' ' A' ' 29' ' ' LEU . 5.0 mp -59.05 -70.82 0.14 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.23 -0.919 . . . . 0.0 109.442 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.523 ' C ' ' O ' ' A' ' 28' ' ' LEU . 15.1 mt -36.53 -53.35 0.87 Allowed 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.256 -0.903 . . . . 0.0 109.523 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -53.35 -41.3 65.67 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.276 -0.89 . . . . 0.0 109.635 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.512 ' N ' ' O ' ' A' ' 28' ' ' LEU . 2.1 t0 -56.56 -27.98 59.04 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.208 -0.932 . . . . 0.0 109.508 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 118.36 -1.8 16.26 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.484 ' HG ' ' HH ' ' A' ' 39' ' ' TYR . 2.8 t -72.98 114.44 11.13 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.307 -1.114 . . . . 0.0 109.42 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.82 153.21 39.48 Favored Pre-proline 0 N--CA 1.491 1.594 0 O-C-N 121.199 -0.938 . . . . 0.0 109.418 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.479 ' HB3' ' H ' ' A' ' 92' ' ' LEU . 19.6 Cg_endo -61.59 -21.07 71.12 Favored 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.837 2.358 . . . . 0.0 112.213 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -57.08 -5.22 0.24 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.307 -0.871 . . . . 0.0 109.461 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.487 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -109.7 14.92 23.13 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.282 -0.886 . . . . 0.0 109.345 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.487 ' O ' ' O ' ' A' ' 37' ' ' ALA . 3.1 mt 55.9 160.43 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.288 -0.882 . . . . 0.0 109.729 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.672 ' CZ ' ' OE2' ' A' ' 123' ' ' GLU . 1.4 m-85 -154.64 147.26 24.2 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.327 -0.858 . . . . 0.0 109.202 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -108.73 143.9 37.24 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.188 -0.945 . . . . 0.0 109.72 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.504 HG22 ' N ' ' A' ' 42' ' ' GLU . 4.6 mp -126.15 160.42 33.43 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.338 -0.851 . . . . 0.0 109.282 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.504 ' N ' HG22 ' A' ' 41' ' ' ILE . 85.9 tt0 -142.68 136.58 29.18 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.127 -0.983 . . . . 0.0 109.698 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -115.62 150.73 36.22 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.288 -0.883 . . . . 0.0 109.329 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -119.0 120.23 36.62 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.259 -0.901 . . . . 0.0 109.322 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.484 ' HB2' ' CE2' ' A' ' 84' ' ' PHE . 1.5 mp -128.3 140.38 51.91 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.2 -0.938 . . . . 0.0 109.629 -179.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.578 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -130.88 155.15 47.23 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.275 -0.891 . . . . 0.0 109.503 179.805 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.537 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -135.42 179.14 6.51 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.324 -0.86 . . . . 0.0 109.475 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -121.21 -15.89 8.07 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.227 -0.92 . . . . 0.0 109.561 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.545 ' O ' ' C ' ' A' ' 50' ' ' PHE . 7.9 t0 -113.63 103.86 11.66 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.21 -0.931 . . . . 0.0 109.484 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.545 ' C ' ' O ' ' A' ' 49' ' ' ASP . 0.3 OUTLIER -35.07 -44.8 0.25 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.243 -0.911 . . . . 0.0 109.655 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.05 -52.92 62.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.236 -0.915 . . . . 0.0 109.694 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.47 ' NZ ' ' OD2' ' A' ' 112' ' ' ASP . 0.6 OUTLIER -64.44 -16.8 63.05 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.28 -0.888 . . . . 0.0 109.601 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.537 HD12 ' HB3' ' A' ' 47' ' ' ALA . 4.0 tt -80.02 -59.97 2.52 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.231 -0.918 . . . . 0.0 109.568 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -60.6 -18.97 56.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.202 -0.936 . . . . 0.0 109.547 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -80.75 -49.94 10.51 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.172 -0.955 . . . . 0.0 109.469 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.43 -31.99 70.68 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.172 -0.955 . . . . 0.0 109.255 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.92 -58.35 5.16 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.346 -0.847 . . . . 0.0 109.343 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 24.1 t -49.48 -55.04 5.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.317 -0.864 . . . . 0.0 109.174 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -46.89 -44.66 19.88 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.328 -0.857 . . . . 0.0 109.228 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.1 -34.86 72.5 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.31 -0.869 . . . . 0.0 109.304 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -69.76 -40.21 76.25 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.314 -0.866 . . . . 0.0 109.242 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.2 mttp -58.82 -35.92 73.67 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.24 -0.913 . . . . 0.0 109.489 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -65.59 -59.48 3.91 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.244 -0.91 . . . . 0.0 109.573 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 159.35 11.57 0.04 OUTLIER Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.473 ' CE2' HD11 ' A' ' 104' ' ' LEU . 70.0 m-85 -92.14 137.42 32.38 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.261 -1.141 . . . . 0.0 109.35 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -87.04 84.11 7.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.211 -0.931 . . . . 0.0 109.343 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.4 p -51.62 150.05 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.349 -0.844 . . . . 0.0 109.64 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.636 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.6 OUTLIER -128.12 141.33 51.52 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.337 -0.852 . . . . 0.0 109.212 179.724 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 68' ' ' LEU . 2.1 tt0 -40.43 144.5 0.23 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.308 -0.87 . . . . 0.0 109.858 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.72 179.95 5.08 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.411 -0.806 . . . . 0.0 109.308 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.427 ' O ' ' N ' ' A' ' 73' ' ' THR . 20.4 tt0 -152.56 117.62 5.17 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.269 -0.895 . . . . 0.0 109.499 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 71' ' ' GLU . 2.9 mt-10 -44.3 100.17 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.232 -0.918 . . . . 0.0 109.419 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.445 ' C ' ' OE1' ' A' ' 74' ' ' GLU . 11.1 t -109.68 -160.08 0.7 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.248 -0.907 . . . . 0.0 109.344 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.445 ' OE1' ' C ' ' A' ' 73' ' ' THR . 1.0 OUTLIER -137.09 142.93 42.35 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.158 -0.964 . . . . 0.0 109.613 -179.908 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.461 ' C ' ' H ' ' A' ' 77' ' ' ASP . 11.6 t0 -113.6 45.22 1.46 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.382 -0.824 . . . . 0.0 109.435 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 57.57 5.25 0.3 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.269 -0.895 . . . . 0.0 109.412 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.461 ' H ' ' C ' ' A' ' 75' ' ' ASP . 0.3 OUTLIER -111.71 -9.15 14.13 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.234 -0.916 . . . . 0.0 109.315 179.824 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 57.52 82.56 0.06 OUTLIER Glycine 0 N--CA 1.49 2.253 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.486 ' O ' ' C ' ' A' ' 80' ' ' LYS . 1.1 m120 -151.74 10.98 0.57 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.239 -1.153 . . . . 0.0 109.621 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 79' ' ' ASN . 1.8 mptp? 39.89 77.48 0.05 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.18 -0.95 . . . . 0.0 109.375 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.529 ' H ' HD23 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -101.4 166.53 10.69 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.22 -0.925 . . . . 0.0 109.675 -179.868 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.511 ' N ' HD12 ' A' ' 82' ' ' LEU . 6.9 mp -105.26 127.76 53.1 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.245 -0.909 . . . . 0.0 109.227 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 9.9 t -126.33 113.2 16.61 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.313 -0.867 . . . . 0.0 110.012 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.658 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.3 OUTLIER -96.63 154.42 17.29 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.244 -0.91 . . . . 0.0 108.779 179.31 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.636 ' O ' ' N ' ' A' ' 68' ' ' LEU . 1.2 m-20 -108.52 149.25 29.09 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.125 -0.984 . . . . 0.0 110.152 -179.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.463 ' HB1' ' HB3' ' A' ' 65' ' ' PHE . . . -130.8 129.24 42.15 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.475 -0.766 . . . . 0.0 109.008 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.29 155.67 21.76 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.107 -0.996 . . . . 0.0 109.985 -179.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.499 ' SD ' ' NE2' ' A' ' 100' ' ' GLN . 6.0 ttm -151.57 120.5 6.63 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.509 -0.745 . . . . 0.0 109.155 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -93.97 127.48 39.78 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.283 -0.886 . . . . 0.0 109.546 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.472 ' OG ' ' N ' ' A' ' 91' ' ' ALA . 1.8 t -164.41 177.42 8.22 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.283 -0.886 . . . . 0.0 109.357 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.472 ' N ' ' OG ' ' A' ' 90' ' ' SER . . . -72.01 176.15 5.31 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.224 -0.923 . . . . 0.0 109.565 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.479 ' H ' ' HB3' ' A' ' 35' ' ' PRO . 6.5 tp -95.65 103.47 15.35 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.242 -0.911 . . . . 0.0 109.504 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -148.21 138.47 22.69 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.201 -0.937 . . . . 0.0 109.461 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.69 -45.7 18.49 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.24 -0.913 . . . . 0.0 109.846 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.1 ttmt -50.98 -51.38 53.34 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.141 -0.974 . . . . 0.0 109.558 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 tp -63.06 -52.41 62.87 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.199 -0.938 . . . . 0.0 109.456 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 43.7 mt -51.97 -29.61 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.269 -0.894 . . . . 0.0 109.467 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -69.79 -44.92 69.08 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.188 -0.945 . . . . 0.0 109.355 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -69.24 -40.33 77.96 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.197 -0.939 . . . . 0.0 109.255 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.499 ' NE2' ' SD ' ' A' ' 88' ' ' MET . 13.0 mm100 -61.59 -52.26 65.12 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.33 -0.857 . . . . 0.0 109.281 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.421 ' O ' HG23 ' A' ' 105' ' ' VAL . 47.6 t -59.42 -49.25 84.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.301 -0.874 . . . . 0.0 109.231 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -57.45 -25.32 59.5 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.308 -0.87 . . . . 0.0 109.081 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.97 -52.3 17.8 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.361 -0.837 . . . . 0.0 109.308 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.473 HD11 ' CE2' ' A' ' 65' ' ' PHE . 28.5 mt -66.65 -29.84 69.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.307 -0.871 . . . . 0.0 109.457 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.509 HG22 ' CD2' ' A' ' 115' ' ' TYR . 54.7 t -64.86 -52.99 47.16 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.239 -0.913 . . . . 0.0 109.533 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -59.27 -40.56 86.46 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.174 -0.954 . . . . 0.0 109.539 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.1 tt -66.67 -39.77 88.31 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.213 -0.93 . . . . 0.0 109.471 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.91 -63.52 1.27 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.261 -0.899 . . . . 0.0 109.432 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -59.27 -30.77 68.54 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.272 -0.892 . . . . 0.0 109.345 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -59.99 -33.22 71.68 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.23 -0.919 . . . . 0.0 109.528 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.489 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 10.2 m-85 -93.86 -76.84 0.47 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.222 -0.924 . . . . 0.0 109.594 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.5 OUTLIER 165.39 37.71 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.184 -0.948 . . . . 0.0 109.282 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.8 pt -123.43 -179.9 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.602 0 O-C-N 121.331 -0.855 . . . . 0.0 109.521 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.795 HD12 ' N ' ' A' ' 115' ' ' TYR . 0.1 OUTLIER -123.09 120.78 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.295 -0.878 . . . . 0.0 109.556 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.795 ' N ' HD12 ' A' ' 114' ' ' ILE . 4.4 t80 -101.08 109.55 21.46 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.288 -0.882 . . . . 0.0 109.334 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -160.58 86.65 0.73 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.255 -0.903 . . . . 0.0 109.545 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 160.69 79.51 0.03 OUTLIER Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.491 ' CZ2' HG23 ' A' ' 21' ' ' THR . 5.6 p-90 -123.67 158.51 31.41 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.272 -1.134 . . . . 0.0 109.581 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.469 ' N ' ' CE3' ' A' ' 118' ' ' TRP . . . -176.25 177.55 47.79 Favored Glycine 0 N--CA 1.491 2.338 0 N-CA-C 109.357 -1.497 . . . . 0.0 109.357 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -145.04 157.99 43.95 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.114 -1.227 . . . . 0.0 109.541 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -93.01 131.0 38.39 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.235 -0.916 . . . . 0.0 109.566 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.628 ' CD1' ' N ' ' A' ' 123' ' ' GLU . 4.1 t80 -80.95 146.8 30.56 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.311 -0.868 . . . . 0.0 109.391 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.672 ' OE2' ' CZ ' ' A' ' 39' ' ' TYR . 2.2 mt-10 -68.32 -175.88 0.68 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.256 -0.902 . . . . 0.0 109.551 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 82.96 36.14 16.34 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.5 ' HA ' HD22 ' A' ' 125' ' ' LEU . 0.2 OUTLIER -100.86 91.02 4.41 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.217 -1.166 . . . . 0.0 109.324 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 27.4 tp10 -59.49 127.18 30.78 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.228 -0.92 . . . . 0.0 109.679 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -91.5 -122.86 0.07 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.292 -0.88 . . . . 0.0 109.385 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 54.17 35.27 22.09 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.128 -0.982 . . . . 0.0 109.479 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 53.3 m-70 -68.84 -10.08 54.92 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.305 -0.872 . . . . 0.0 109.453 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 24.4 m80 -73.79 175.79 6.92 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.233 -0.917 . . . . 0.0 109.51 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -135.01 -42.67 0.73 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.259 -0.901 . . . . 0.0 109.487 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.565 ' OXT' ' CG ' ' A' ' 132' ' ' HIS . 16.9 p80 . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 118.001 -1.0 . . . . 0.0 109.478 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.401 ' C ' ' OG ' ' A' ' 2' ' ' SER . 1.2 mpp? . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.401 ' OG ' ' C ' ' A' ' 1' ' ' MET . 0.1 OUTLIER 49.43 33.94 6.12 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.254 -0.904 . . . . 0.0 109.404 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.47 -16.53 24.64 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.23 -0.919 . . . . 0.0 109.471 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.419 ' O ' ' C ' ' A' ' 5' ' ' ASP . 19.4 mm-40 -64.99 -175.15 0.18 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.203 -0.936 . . . . 0.0 109.468 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 4' ' ' GLN . 74.6 m-20 43.78 -112.19 0.24 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.216 -0.928 . . . . 0.0 109.675 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.547 ' O ' ' C ' ' A' ' 7' ' ' TYR . 0.7 OUTLIER 50.89 79.94 0.08 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.189 -0.944 . . . . 0.0 109.481 -179.823 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.547 ' C ' ' O ' ' A' ' 6' ' ' ASP . 0.0 OUTLIER -34.32 139.09 0.08 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.315 -0.865 . . . . 0.0 109.678 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.39 25.27 0.53 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.309 -0.87 . . . . 0.0 109.486 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m -141.62 -62.81 0.46 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.185 -0.947 . . . . 0.0 109.495 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 2.4 p -52.84 -28.0 13.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.317 -0.865 . . . . 0.0 109.303 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -82.57 -28.43 30.92 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.322 -0.861 . . . . 0.0 109.448 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -67.19 -46.97 72.33 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.227 -0.921 . . . . 0.0 109.641 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.9 mt -65.0 -23.98 67.38 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.288 -0.882 . . . . 0.0 109.813 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.8 mt -72.45 -46.73 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.617 0 O-C-N 121.18 -0.95 . . . . 0.0 109.659 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -62.32 -54.32 42.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.114 -0.991 . . . . 0.0 109.463 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.528 ' O ' ' C ' ' A' ' 17' ' ' GLN . 36.6 mt -59.69 -62.21 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.52 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.656 ' HG2' HG11 ' A' ' 101' ' ' VAL . 5.4 tp60 -35.86 -47.79 0.53 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.268 -0.895 . . . . 0.0 109.324 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.604 ' NZ ' ' OD2' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -53.32 -57.75 9.47 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.304 -0.873 . . . . 0.0 109.181 179.702 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -48.82 -43.37 38.37 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.267 -0.896 . . . . 0.0 109.139 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -59.06 -53.31 59.77 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.257 -0.902 . . . . 0.0 109.343 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 22' ' ' ARG . 1.0 OUTLIER -55.56 -63.08 1.28 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.301 -0.874 . . . . 0.0 109.725 -179.866 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' THR . 15.9 mtm180 -42.89 -38.65 2.26 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.249 -0.907 . . . . 0.0 109.772 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -60.84 -49.34 77.86 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.236 -0.915 . . . . 0.0 109.797 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' A' ' 25' ' ' ILE . 41.9 mt -65.76 -59.64 3.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.233 -0.917 . . . . 0.0 109.736 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 24' ' ' ILE . 11.0 mm -43.63 -29.07 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.199 -0.938 . . . . 0.0 109.685 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 57.7 mm-40 -77.71 -52.27 9.23 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.188 -0.945 . . . . 0.0 109.587 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.47 -33.14 72.15 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.266 -0.896 . . . . 0.0 109.445 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 28' ' ' LEU . 9.9 mt -68.66 -45.28 72.17 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.264 -0.897 . . . . 0.0 109.496 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.43 ' HA ' HD22 ' A' ' 29' ' ' LEU . 1.6 mm? -67.95 -53.21 27.97 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.215 -0.928 . . . . 0.0 109.321 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -48.33 -44.35 34.06 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.307 -0.87 . . . . 0.0 109.391 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -53.17 -34.98 59.22 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.27 -0.894 . . . . 0.0 109.454 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 110.34 21.25 7.01 Favored Glycine 0 N--CA 1.491 2.313 0 N-CA-C 109.386 -1.486 . . . . 0.0 109.386 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 95.0 p -48.66 167.42 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.346 -1.091 . . . . 0.0 109.658 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.74 77.14 74.45 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.331 -0.856 . . . . 0.0 109.323 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -53.74 -22.39 22.95 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.901 2.401 . . . . 0.0 112.278 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -49.86 -16.8 0.29 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.237 -0.914 . . . . 0.0 109.641 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -91.21 -102.72 0.1 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.168 -0.957 . . . . 0.0 109.52 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.7 tp -155.72 162.65 40.51 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.312 -0.867 . . . . 0.0 109.384 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -141.32 138.31 33.04 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.243 -0.91 . . . . 0.0 109.579 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.739 ' C ' HD12 ' A' ' 41' ' ' ILE . 4.8 pt-20 -108.82 142.41 39.44 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.311 -0.868 . . . . 0.0 109.522 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.809 HD12 ' N ' ' A' ' 41' ' ' ILE . 3.4 mp -125.49 156.77 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.375 -0.828 . . . . 0.0 109.203 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.417 ' N ' HG22 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -140.11 135.05 32.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.101 -0.999 . . . . 0.0 109.654 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -119.93 135.29 54.96 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.345 -0.847 . . . . 0.0 109.11 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -105.55 137.28 43.65 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.23 -0.919 . . . . 0.0 109.804 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.589 ' O ' ' CE1' ' A' ' 84' ' ' PHE . 2.6 mp -141.66 126.96 18.64 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.413 -0.804 . . . . 0.0 109.2 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.794 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -108.63 159.69 16.52 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.209 -0.932 . . . . 0.0 109.504 -179.842 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.409 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -136.97 165.6 25.6 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.275 -0.891 . . . . 0.0 109.588 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -105.12 -23.34 12.94 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.199 -0.938 . . . . 0.0 109.33 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.673 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -114.94 116.47 28.56 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.297 -0.877 . . . . 0.0 109.276 179.908 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.439 ' C ' ' O ' ' A' ' 49' ' ' ASP . 2.1 p90 -43.68 -38.29 3.04 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.174 -0.954 . . . . 0.0 109.368 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -62.81 -72.51 0.13 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.228 -0.92 . . . . 0.0 109.267 179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.507 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -37.21 -33.57 0.06 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.296 -0.877 . . . . 0.0 109.352 179.827 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 51' ' ' ASP . 4.6 tt -64.66 -42.22 95.55 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.32 -0.863 . . . . 0.0 109.407 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 51' ' ' ASP . 6.8 tt0 -69.37 -25.9 64.4 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.306 -0.871 . . . . 0.0 109.822 -179.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -79.07 -63.74 1.35 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.165 -0.96 . . . . 0.0 109.965 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.05 -29.2 43.07 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.214 -0.929 . . . . 0.0 109.79 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.96 -46.09 46.18 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.185 -0.947 . . . . 0.0 109.697 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.4 t -59.5 -28.7 40.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 121.247 -0.908 . . . . 0.0 109.634 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -72.55 -54.75 8.3 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.248 -0.908 . . . . 0.0 109.688 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.26 -42.98 70.56 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.233 -0.917 . . . . 0.0 109.624 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 33.0 t80 -61.07 -40.63 94.42 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.183 -0.948 . . . . 0.0 109.554 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -63.91 -26.24 68.51 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.196 -0.94 . . . . 0.0 109.51 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 13.7 mtm -78.38 -29.63 47.45 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.2 -0.938 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 135.26 -16.22 4.15 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.592 -1.403 . . . . 0.0 109.592 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.482 ' HB3' ' HB1' ' A' ' 86' ' ' ALA . 82.4 m-85 -60.72 133.76 56.42 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.289 -1.124 . . . . 0.0 109.433 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.32 80.3 9.2 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.211 -0.931 . . . . 0.0 109.216 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.1 p -54.38 133.22 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.276 -0.89 . . . . 0.0 109.561 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.64 HD23 ' N ' ' A' ' 69' ' ' GLU . 1.1 tt -114.0 138.42 50.39 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.273 -0.892 . . . . 0.0 109.286 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.64 ' N ' HD23 ' A' ' 68' ' ' LEU . 3.6 mp0 -38.45 162.17 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.214 -0.928 . . . . 0.0 109.586 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.63 179.11 4.37 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.267 -0.895 . . . . 0.0 109.645 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.552 ' O ' ' C ' ' A' ' 72' ' ' GLU . 16.1 tt0 -147.55 103.5 3.54 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.364 -0.835 . . . . 0.0 109.236 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.552 ' C ' ' O ' ' A' ' 71' ' ' GLU . 58.1 mt-10 -33.75 110.6 0.09 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.385 -0.822 . . . . 0.0 109.736 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.7 t -119.34 -161.44 0.86 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.262 -0.899 . . . . 0.0 109.434 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.449 ' O ' ' O ' ' A' ' 75' ' ' ASP . 17.4 mt-10 -123.15 138.75 54.58 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.295 -0.878 . . . . 0.0 109.328 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.449 ' O ' ' O ' ' A' ' 74' ' ' GLU . 3.9 t70 -61.54 -132.52 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.292 -0.88 . . . . 0.0 109.428 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -107.65 -15.11 14.66 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.265 -0.897 . . . . 0.0 109.396 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -105.84 -23.4 12.71 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.219 -0.926 . . . . 0.0 109.284 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.411 ' O ' ' ND2' ' A' ' 79' ' ' ASN . . . 119.78 86.29 0.98 Allowed Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.411 ' ND2' ' O ' ' A' ' 78' ' ' GLY . 2.2 m-80 -146.01 -160.58 1.17 Allowed 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.23 -1.159 . . . . 0.0 109.476 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -135.68 113.9 11.44 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.192 -0.943 . . . . 0.0 109.383 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.03 158.94 43.29 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.262 -0.899 . . . . 0.0 109.52 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.517 ' N ' HD12 ' A' ' 82' ' ' LEU . 6.7 mp -88.58 127.59 35.56 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.322 -0.861 . . . . 0.0 109.125 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.524 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 28.5 p -124.54 106.01 9.82 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.268 -0.895 . . . . 0.0 109.899 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.589 ' CE1' ' O ' ' A' ' 45' ' ' LEU . 13.2 p90 -97.42 156.48 16.45 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.116 -0.99 . . . . 0.0 108.827 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.582 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -126.64 168.01 14.91 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.033 -1.042 . . . . 0.0 110.049 -179.485 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.482 ' HB1' ' HB3' ' A' ' 65' ' ' PHE . . . -142.05 152.22 43.15 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.436 -0.79 . . . . 0.0 109.063 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 1.2 p -130.84 156.96 44.13 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.189 -0.944 . . . . 0.0 109.706 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 15.2 ttm -153.56 116.8 4.59 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.321 -0.862 . . . . 0.0 109.549 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.686 ' N ' ' NE2' ' A' ' 89' ' ' GLN . 0.6 OUTLIER -85.74 133.19 34.01 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.203 -0.936 . . . . 0.0 109.272 179.744 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.7 p -166.16 -172.5 2.29 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.211 -0.931 . . . . 0.0 109.543 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.503 ' O ' ' C ' ' A' ' 92' ' ' LEU . . . -93.33 120.42 33.59 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.353 -0.842 . . . . 0.0 109.542 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.521 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 29.3 tp -37.68 134.2 0.72 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.22 -0.925 . . . . 0.0 109.498 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.521 ' CG ' ' O ' ' A' ' 92' ' ' LEU . 4.7 m-20 -178.67 113.18 0.06 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.219 -0.926 . . . . 0.0 109.367 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.47 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -46.42 -69.06 0.14 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.245 -0.91 . . . . 0.0 109.625 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.47 ' C ' ' O ' ' A' ' 94' ' ' ALA . 9.0 mtmt -39.88 -48.15 2.26 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.258 -0.901 . . . . 0.0 109.916 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.454 HD23 HE21 ' A' ' 100' ' ' GLN . 1.1 tt -58.89 -54.88 42.12 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.118 -0.989 . . . . 0.0 109.729 -179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 33.4 mt -57.8 -30.21 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 121.16 -0.962 . . . . 0.0 109.622 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.604 ' OD2' ' NZ ' ' A' ' 18' ' ' LYS . 1.8 m-20 -63.2 -41.61 99.2 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.215 -0.928 . . . . 0.0 109.384 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -65.15 -40.82 94.9 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.298 -0.876 . . . . 0.0 109.232 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.454 HE21 HD23 ' A' ' 96' ' ' LEU . 45.6 mm-40 -64.29 -49.11 73.1 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.266 -0.896 . . . . 0.0 109.611 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.681 ' O ' HG23 ' A' ' 105' ' ' VAL . 59.6 t -65.87 -60.62 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.203 -0.935 . . . . 0.0 109.525 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.446 ' O ' ' CG ' ' A' ' 106' ' ' ASN . 35.0 tt0 -45.48 -31.82 1.92 Allowed 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.203 -0.936 . . . . 0.0 109.497 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -72.7 -61.04 1.95 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.193 -0.942 . . . . 0.0 109.486 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.54 ' O ' ' HB2' ' A' ' 108' ' ' ALA . 14.6 mt -56.63 -15.61 4.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.204 -0.935 . . . . 0.0 109.445 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 101' ' ' VAL . 92.3 t -83.9 -68.39 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.361 -0.837 . . . . 0.0 109.486 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.555 ' ND2' ' H ' ' A' ' 106' ' ' ASN . 0.3 OUTLIER -50.76 -37.78 44.08 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.28 -0.888 . . . . 0.0 109.466 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.4 tt -72.45 -39.82 67.5 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.254 -0.904 . . . . 0.0 109.468 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 104' ' ' LEU . . . -53.29 -54.61 33.88 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.24 -0.913 . . . . 0.0 109.601 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -70.75 -34.14 71.54 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.282 -0.886 . . . . 0.0 109.45 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -58.89 -22.33 59.23 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.217 -0.927 . . . . 0.0 109.2 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.503 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 7.4 m-85 -100.59 -76.73 0.55 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.281 -0.887 . . . . 0.0 109.044 179.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.6 OUTLIER 163.75 33.89 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.381 -0.824 . . . . 0.0 109.542 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 8.8 pt -120.06 178.47 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.158 -0.964 . . . . 0.0 109.552 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.537 HG23 ' CD2' ' A' ' 46' ' ' PHE . 0.9 OUTLIER -120.37 110.62 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.262 -0.898 . . . . 0.0 109.517 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.484 ' OH ' HG13 ' A' ' 101' ' ' VAL . 5.1 t80 -87.38 125.89 34.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.251 -0.906 . . . . 0.0 109.419 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -176.9 81.59 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.205 -0.934 . . . . 0.0 109.358 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 160.11 80.99 0.04 OUTLIER Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 3.6 p-90 -122.65 147.0 46.95 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.208 -1.172 . . . . 0.0 109.43 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -162.41 172.37 38.49 Favored Glycine 0 N--CA 1.491 2.324 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . 0.46 ' OG1' ' N ' ' A' ' 121' ' ' TYR . 0.0 OUTLIER -137.49 177.01 8.19 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.224 -1.163 . . . . 0.0 109.384 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.46 ' N ' ' OG1' ' A' ' 120' ' ' THR . 6.9 t80 -119.85 125.19 47.91 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.351 -0.843 . . . . 0.0 109.561 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.447 ' CZ ' ' O ' ' A' ' 123' ' ' GLU . 25.3 t80 -70.39 140.62 52.14 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.224 -0.922 . . . . 0.0 109.38 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.447 ' O ' ' CZ ' ' A' ' 122' ' ' TYR . 3.0 tt0 -122.32 177.1 5.52 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.252 -0.905 . . . . 0.0 109.521 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 121.08 -27.14 6.51 Favored Glycine 0 N--CA 1.489 2.224 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.94 120.48 20.53 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.176 -1.191 . . . . 0.0 109.497 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -65.34 -49.35 69.75 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.191 -0.943 . . . . 0.0 109.435 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 61.0 54.44 3.39 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.251 -0.906 . . . . 0.0 109.615 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 42.7 t60 -159.93 -41.6 0.05 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.305 -0.872 . . . . 0.0 109.177 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -115.56 -162.47 0.83 Allowed 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.286 -0.884 . . . . 0.0 109.249 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 59.9 103.05 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.298 -0.876 . . . . 0.0 109.354 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.676 ' CG ' ' H ' ' A' ' 132' ' ' HIS . 2.4 p-80 -126.71 -63.87 1.05 Allowed 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.233 -0.917 . . . . 0.0 109.553 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.676 ' H ' ' CG ' ' A' ' 131' ' ' HIS . 6.1 t60 . . . . . 0 N--CA 1.489 1.478 0 CA-C-O 118.075 -0.964 . . . . 0.0 109.497 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 ttm . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.222 0.534 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -124.5 -21.64 4.84 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.221 -0.924 . . . . 0.0 109.522 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.661 ' ND1' ' OE1' ' A' ' 4' ' ' GLN . 1.5 t-80 -103.02 126.71 50.31 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.195 -0.941 . . . . 0.0 109.699 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.661 ' OE1' ' ND1' ' A' ' 3' ' ' HIS . 5.1 mm100 59.37 71.23 0.59 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.259 -0.9 . . . . 0.0 109.518 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -143.65 125.34 15.02 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.294 -0.879 . . . . 0.0 109.473 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' A' ' 7' ' ' TYR . 4.5 p30 -134.99 -79.77 0.44 Allowed 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.249 -0.907 . . . . 0.0 109.358 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.535 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 77.8 m-85 -144.86 173.84 11.51 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.285 -0.884 . . . . 0.0 109.35 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 44.6 mt -119.79 97.25 5.54 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.202 -0.937 . . . . 0.0 109.533 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 12' ' ' GLU . 0.3 OUTLIER -153.8 -67.74 0.14 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.206 -0.934 . . . . 0.0 109.53 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.424 ' C ' ' O ' ' A' ' 9' ' ' SER . 40.1 t -42.37 -31.95 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.155 -0.966 . . . . 0.0 109.605 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.534 ' CD ' ' OE2' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -76.84 -30.28 56.26 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.199 -0.938 . . . . 0.0 109.646 -179.876 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.534 ' OE2' ' CD ' ' A' ' 11' ' ' GLU . 23.4 mm-40 -66.4 -48.18 70.92 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.185 -0.947 . . . . 0.0 109.493 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 15.4 mt -56.67 -33.91 66.86 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.217 -0.927 . . . . 0.0 109.494 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.7 mt -65.72 -51.26 64.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.305 -0.872 . . . . 0.0 109.501 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.88 -63.03 1.27 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.224 -0.923 . . . . 0.0 109.401 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.414 ' N ' ' CD1' ' A' ' 16' ' ' ILE . 1.4 mp -53.86 -45.64 63.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.296 -0.878 . . . . 0.0 109.477 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.477 ' OE1' ' OG1' ' A' ' 21' ' ' THR . 5.1 tp-100 -58.91 -18.84 36.95 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.367 -0.833 . . . . 0.0 109.662 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -83.57 -60.38 2.15 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.202 -0.936 . . . . 0.0 109.683 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -48.8 -36.21 16.18 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.076 -1.015 . . . . 0.0 109.293 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.6 tp10 -70.07 -51.69 29.9 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.322 -0.861 . . . . 0.0 109.509 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.477 ' OG1' ' OE1' ' A' ' 17' ' ' GLN . 9.1 m -55.3 -31.83 61.94 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.269 -0.895 . . . . 0.0 109.593 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 -67.55 -48.15 67.77 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.074 -1.017 . . . . 0.0 109.562 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.22 -49.53 76.77 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.233 -0.917 . . . . 0.0 109.794 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 34.6 mt -58.53 -57.69 9.9 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.194 -0.942 . . . . 0.0 109.719 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 26' ' ' GLN . 1.1 mp -45.99 -59.18 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.284 -0.885 . . . . 0.0 109.53 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.465 ' N ' HG22 ' A' ' 25' ' ' ILE . 14.2 mm100 -47.25 -40.33 16.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.196 -0.94 . . . . 0.0 109.652 -179.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.508 ' O ' ' C ' ' A' ' 28' ' ' LEU . . . -68.41 -66.28 0.59 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.219 -0.925 . . . . 0.0 109.632 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.508 ' C ' ' O ' ' A' ' 27' ' ' ALA . 79.9 mt -38.02 -39.62 0.41 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.211 -0.931 . . . . 0.0 109.58 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.608 ' O ' ' N ' ' A' ' 32' ' ' GLY . 0.2 OUTLIER -66.05 -63.31 1.11 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.227 -0.92 . . . . 0.0 109.491 -179.86 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.509 ' O ' ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -42.33 -30.85 0.35 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.172 -0.955 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.464 ' OD2' ' CE1' ' A' ' 122' ' ' TYR . 3.8 t70 -70.26 -18.14 63.13 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.258 -0.901 . . . . 0.0 109.287 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.608 ' N ' ' O ' ' A' ' 29' ' ' LEU . . . 85.87 33.87 14.51 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.2 p -60.97 -25.37 66.8 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.301 -1.117 . . . . 0.0 109.49 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.548 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER 57.85 88.4 0.12 Allowed Pre-proline 0 N--CA 1.491 1.585 0 O-C-N 121.289 -0.882 . . . . 0.0 109.617 179.852 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -59.23 -1.33 0.87 Allowed 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.785 2.323 . . . . 0.0 111.971 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.71 -28.94 69.43 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.313 -0.867 . . . . 0.0 109.605 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.438 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -85.44 23.95 1.26 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.227 -0.921 . . . . 0.0 109.183 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.502 ' O ' ' OE2' ' A' ' 123' ' ' GLU . 10.3 mt 56.99 164.17 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.278 -0.889 . . . . 0.0 109.164 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.555 ' CZ ' HD13 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -129.6 154.92 46.61 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.255 -0.903 . . . . 0.0 109.53 -179.845 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -106.2 122.63 46.61 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.304 -0.872 . . . . 0.0 109.484 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mm -99.5 143.1 14.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.193 -0.942 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -133.18 139.46 47.05 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.267 -0.896 . . . . 0.0 109.691 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.4 m-70 -131.83 159.28 38.99 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.322 -0.862 . . . . 0.0 109.239 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.671 ' NE2' ' OD2' ' A' ' 85' ' ' ASP . 0.1 OUTLIER -134.72 122.01 21.57 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.198 -0.939 . . . . 0.0 109.689 -179.842 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.506 ' N ' HD12 ' A' ' 45' ' ' LEU . 5.2 mp -128.07 151.09 49.6 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.272 -0.893 . . . . 0.0 109.301 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.586 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -132.26 161.11 34.27 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.164 -0.96 . . . . 0.0 109.806 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.546 ' HB2' HG22 ' A' ' 113' ' ' ILE . . . -148.02 164.3 34.23 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.458 -0.776 . . . . 0.0 109.411 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -111.63 -1.73 15.64 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.271 -0.893 . . . . 0.0 109.461 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -117.64 124.75 49.35 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.25 -0.906 . . . . 0.0 109.712 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -64.21 -27.42 69.05 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.151 -0.968 . . . . 0.0 109.278 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -73.7 -55.17 6.59 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.261 -0.9 . . . . 0.0 109.365 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.0 -31.19 72.27 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.267 -0.895 . . . . 0.0 109.368 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.608 ' O ' HD23 ' A' ' 53' ' ' LEU . 5.5 tt -64.84 -42.64 94.75 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.285 -0.884 . . . . 0.0 109.566 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -74.34 -21.29 59.77 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.23 -0.919 . . . . 0.0 109.856 -179.822 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.5 mttm -82.32 -59.69 2.46 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.09 -1.006 . . . . 0.0 109.56 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.17 -34.64 68.66 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.203 -0.936 . . . . 0.0 109.796 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.01 -47.96 40.49 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.251 -0.906 . . . . 0.0 109.743 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 54' ' ' GLU . 6.5 t -54.33 -44.96 68.06 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.2 -0.937 . . . . 0.0 109.845 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.0 tt0 -68.21 -39.62 82.34 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.108 -0.995 . . . . 0.0 109.737 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.99 -47.04 61.54 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.223 -0.923 . . . . 0.0 109.69 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.533 ' O ' ' C ' ' A' ' 62' ' ' LYS . 15.5 t80 -68.14 -59.89 2.89 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.221 -0.925 . . . . 0.0 109.671 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.533 ' C ' ' O ' ' A' ' 61' ' ' PHE . 9.1 tttm -36.76 -34.77 0.08 Allowed 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.178 -0.951 . . . . 0.0 109.532 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.478 ' N ' ' O ' ' A' ' 61' ' ' PHE . 8.8 mtm -70.11 -55.75 8.65 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.189 -0.944 . . . . 0.0 109.504 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 161.49 -24.32 0.24 Allowed Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.334 -1.506 . . . . 0.0 109.334 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.401 ' CZ ' ' NE2' ' A' ' 100' ' ' GLN . 78.1 m-85 -60.03 122.15 13.63 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.271 -1.135 . . . . 0.0 109.325 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -70.75 86.4 0.67 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.197 -0.939 . . . . 0.0 109.186 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -59.65 145.91 10.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.307 -0.871 . . . . 0.0 109.741 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.629 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -124.37 135.67 53.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.271 -0.893 . . . . 0.0 109.332 179.865 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 68' ' ' LEU . 1.1 mm-40 -41.46 153.79 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.279 -0.888 . . . . 0.0 109.684 -179.725 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.425 ' HB1' ' N ' ' A' ' 83' ' ' CYS . . . -105.42 159.04 16.23 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.331 -0.855 . . . . 0.0 109.588 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -119.82 179.83 4.13 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.31 -0.868 . . . . 0.0 109.171 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 66.1 mt-10 -91.39 117.63 29.84 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.187 -0.946 . . . . 0.0 109.686 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.488 ' OG1' ' N ' ' A' ' 74' ' ' GLU . 3.5 t -150.61 -162.31 1.52 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.255 -0.903 . . . . 0.0 109.341 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.488 ' N ' ' OG1' ' A' ' 73' ' ' THR . 23.5 pt-20 -155.6 -172.71 4.24 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.235 -0.916 . . . . 0.0 109.645 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.624 ' OD1' ' N ' ' A' ' 76' ' ' GLU . 1.5 p30 -142.72 -88.42 0.14 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.295 -0.878 . . . . 0.0 109.514 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.624 ' N ' ' OD1' ' A' ' 75' ' ' ASP . 3.7 mt-10 -151.94 20.41 0.68 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.261 -0.899 . . . . 0.0 109.519 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.9 2.98 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.268 -0.895 . . . . 0.0 109.519 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.515 ' C ' ' H ' ' A' ' 80' ' ' LYS . . . -104.03 -50.49 1.0 Allowed Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.402 -1.479 . . . . 0.0 109.402 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.1 t30 63.28 -4.92 0.26 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.321 -1.105 . . . . 0.0 109.641 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.515 ' H ' ' C ' ' A' ' 78' ' ' GLY . 4.9 tttt -176.92 98.79 0.05 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.232 -0.917 . . . . 0.0 109.563 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.704 HD12 ' C ' ' A' ' 81' ' ' LEU . 1.9 pp -157.62 172.48 18.46 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.184 -0.948 . . . . 0.0 109.465 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.4 mp -112.33 141.91 45.48 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.18 -0.95 . . . . 0.0 109.449 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.425 ' N ' ' HB1' ' A' ' 70' ' ' ALA . 26.6 p -134.53 115.95 14.5 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.297 -0.877 . . . . 0.0 109.996 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.69 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -97.08 160.23 14.46 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.26 -0.9 . . . . 0.0 109.035 179.516 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.671 ' OD2' ' NE2' ' A' ' 44' ' ' HIS . 0.2 OUTLIER -114.17 147.06 39.49 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.212 -0.93 . . . . 0.0 109.792 -179.595 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -120.49 140.14 51.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.31 -0.869 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -127.3 147.84 50.24 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.2 -0.938 . . . . 0.0 109.651 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.7 tpp -160.68 126.62 3.97 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.356 -0.84 . . . . 0.0 109.193 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.639 ' OE1' ' N ' ' A' ' 89' ' ' GLN . 6.6 mp0 -79.31 123.53 27.55 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.199 -0.938 . . . . 0.0 109.639 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.6 p -140.53 -172.32 3.41 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.386 -0.821 . . . . 0.0 109.298 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -100.71 137.71 38.75 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.193 -0.942 . . . . 0.0 109.501 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.555 HD13 ' CZ ' ' A' ' 39' ' ' TYR . 2.3 tp -57.82 103.72 0.15 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.148 -0.97 . . . . 0.0 109.346 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -164.63 140.18 5.73 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.193 -0.942 . . . . 0.0 109.416 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.513 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -66.17 -71.69 0.19 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.199 -0.938 . . . . 0.0 109.347 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.513 ' C ' ' O ' ' A' ' 94' ' ' ALA . 23.6 mtpp -35.54 -45.9 0.38 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.285 -0.884 . . . . 0.0 109.518 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -59.03 -54.72 43.88 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.218 -0.926 . . . . 0.0 109.37 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.5 ' O ' HG23 ' A' ' 101' ' ' VAL . 6.9 mt -56.07 -28.62 25.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.195 -0.94 . . . . 0.0 109.31 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -64.5 -44.0 92.31 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.279 -0.888 . . . . 0.0 109.185 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.8 -51.41 69.46 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.254 -0.904 . . . . 0.0 109.404 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.401 ' NE2' ' CZ ' ' A' ' 65' ' ' PHE . 23.2 mm100 -58.6 -56.94 15.72 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.162 -0.961 . . . . 0.0 109.419 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.541 HG13 ' CE2' ' A' ' 115' ' ' TYR . 87.1 t -53.48 -24.2 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.313 -0.867 . . . . 0.0 109.251 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.01 -46.8 41.28 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.194 -0.941 . . . . 0.0 109.263 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.402 ' HE2' ' SD ' ' A' ' 63' ' ' MET . 15.9 tptt -63.22 -43.65 97.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.299 -0.876 . . . . 0.0 109.564 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.434 ' HA ' HD23 ' A' ' 104' ' ' LEU . 89.1 mt -67.07 -30.36 70.39 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.266 -0.896 . . . . 0.0 109.708 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.0 t -75.96 -50.09 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.164 -0.96 . . . . 0.0 109.625 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -63.36 -48.97 75.72 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.186 -0.946 . . . . 0.0 109.714 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.3 tp -62.54 -45.88 90.95 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.225 -0.922 . . . . 0.0 109.693 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -55.37 -60.13 3.84 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.33 -0.856 . . . . 0.0 109.976 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -63.97 -19.83 65.44 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.261 -0.899 . . . . 0.0 109.993 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.9 tptt -71.87 -29.76 64.7 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.101 -0.999 . . . . 0.0 109.595 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.516 ' O ' ' CG ' ' A' ' 112' ' ' ASP . 27.1 m-85 -97.32 -77.12 0.5 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.184 -0.947 . . . . 0.0 109.646 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.516 ' CG ' ' O ' ' A' ' 111' ' ' PHE . 2.0 m-20 169.56 35.49 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.206 -0.934 . . . . 0.0 109.434 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.546 HG22 ' HB2' ' A' ' 47' ' ' ALA . 7.0 pt -124.33 172.95 11.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.231 -0.918 . . . . 0.0 109.346 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 2.6 tt -119.68 145.76 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.196 -0.94 . . . . 0.0 109.604 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.541 ' CE2' HG13 ' A' ' 101' ' ' VAL . 1.2 t80 -111.78 97.6 6.81 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.324 -0.86 . . . . 0.0 109.164 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -138.75 80.93 1.82 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.233 -0.917 . . . . 0.0 109.542 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 162.19 80.15 0.04 OUTLIER Glycine 0 N--CA 1.491 2.352 0 N-CA-C 109.918 -1.273 . . . . 0.0 109.918 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.691 ' O ' ' CG ' ' A' ' 118' ' ' TRP . 3.1 p-90 -115.6 115.66 26.8 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.221 -1.164 . . . . 0.0 109.315 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -133.19 158.39 23.14 Favored Glycine 0 N--CA 1.492 2.373 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.29 166.26 18.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.257 -1.143 . . . . 0.0 109.475 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -101.83 139.17 37.83 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.229 -0.92 . . . . 0.0 109.439 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.482 ' O ' ' C ' ' A' ' 123' ' ' GLU . 2.1 t80 -85.23 101.92 12.9 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.238 -0.914 . . . . 0.0 109.509 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.502 ' OE2' ' O ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -40.24 115.06 0.51 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.267 -0.896 . . . . 0.0 109.372 179.891 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 133.8 -19.59 4.18 Favored Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.1 mt -80.59 41.64 0.56 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.201 -1.176 . . . . 0.0 109.363 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 62.57 170.97 0.14 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.326 -0.859 . . . . 0.0 109.664 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -167.11 39.55 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.355 -0.84 . . . . 0.0 109.181 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -101.12 134.41 44.18 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.342 -0.849 . . . . 0.0 109.469 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 47.5 t-80 -88.06 102.14 14.47 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.249 -0.907 . . . . 0.0 109.469 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -156.8 3.44 0.14 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.302 -0.874 . . . . 0.0 109.49 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.685 ' CG ' ' H ' ' A' ' 132' ' ' HIS . 1.8 t60 61.51 -137.8 0.53 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.21 -0.931 . . . . 0.0 109.584 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.685 ' H ' ' CG ' ' A' ' 131' ' ' HIS . 61.2 t60 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 118.063 -0.97 . . . . 0.0 109.553 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 tmm? . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.561 ' O ' ' OG ' ' A' ' 2' ' ' SER . 1.9 t -129.61 44.64 2.93 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.267 -0.896 . . . . 0.0 109.481 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.652 ' C ' ' HD1' ' A' ' 3' ' ' HIS . 2.8 t-80 45.09 86.81 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.301 -0.875 . . . . 0.0 109.688 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.46 131.59 39.99 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.248 -0.908 . . . . 0.0 109.301 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.525 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 3.7 p30 -85.54 -82.59 0.18 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.167 -0.958 . . . . 0.0 109.503 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.442 ' H ' ' CG ' ' A' ' 5' ' ' ASP . 5.3 t0 52.59 41.98 31.34 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.235 -0.916 . . . . 0.0 109.315 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -65.8 142.54 57.92 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.328 -0.857 . . . . 0.0 109.645 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -82.17 -167.71 1.67 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.297 -0.877 . . . . 0.0 109.27 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.666 ' O ' ' N ' ' A' ' 12' ' ' GLU . 2.8 m -95.72 -8.53 34.31 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.239 -0.913 . . . . 0.0 109.243 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 9' ' ' SER . 67.8 t -44.61 -33.93 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 O-C-N 121.162 -0.961 . . . . 0.0 108.873 179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -76.6 -19.15 58.15 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.666 ' N ' ' O ' ' A' ' 9' ' ' SER . 5.5 mm-40 -72.18 -56.78 4.98 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.569 -0.707 . . . . 0.0 109.297 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.402 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 5.0 mt -49.73 -48.26 50.19 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.32 -0.863 . . . . 0.0 109.276 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.456 ' O ' ' C ' ' A' ' 15' ' ' GLU . 19.4 mt -51.92 -65.77 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.334 -0.854 . . . . 0.0 109.368 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 14' ' ' ILE . 12.4 mm-40 -41.99 -57.98 2.24 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.347 -0.845 . . . . 0.0 109.298 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.484 ' O ' ' C ' ' A' ' 17' ' ' GLN . 64.1 mt -49.33 -67.49 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.325 -0.859 . . . . 0.0 109.415 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.492 ' O ' ' C ' ' A' ' 18' ' ' LYS . 3.8 mp0 -39.87 -54.62 2.13 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.191 -0.943 . . . . 0.0 109.228 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.492 ' C ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER -38.54 -58.89 0.98 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.209 -0.932 . . . . 0.0 109.351 179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.522 ' O ' ' C ' ' A' ' 20' ' ' GLU . 2.8 mt-10 -56.83 -66.21 0.48 Allowed 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.244 -0.91 . . . . 0.0 109.513 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.522 ' C ' ' O ' ' A' ' 19' ' ' GLU . 4.0 mm-40 -36.2 -42.93 0.33 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.248 -0.907 . . . . 0.0 109.622 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 22' ' ' ARG . 2.1 m -58.94 -61.45 2.62 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.254 -0.904 . . . . 0.0 109.565 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 21' ' ' THR . 8.2 ttp180 -43.07 -44.87 5.04 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.274 -0.891 . . . . 0.0 109.47 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.66 -48.06 72.8 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.296 -0.877 . . . . 0.0 109.267 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.574 ' O ' ' N ' ' A' ' 26' ' ' GLN . 14.9 mt -70.65 -67.16 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.37 -0.831 . . . . 0.0 109.452 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.502 ' C ' ' O ' ' A' ' 24' ' ' ILE . 17.0 mm -36.78 -29.24 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.266 -0.896 . . . . 0.0 109.519 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.574 ' N ' ' O ' ' A' ' 24' ' ' ILE . 8.5 mm-40 -76.54 -52.71 9.24 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.179 -0.951 . . . . 0.0 109.511 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.67 -49.44 62.35 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.28 -0.888 . . . . 0.0 109.686 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 29' ' ' LEU . 15.2 mt -60.32 -63.17 1.39 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.268 -0.895 . . . . 0.0 109.709 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 28' ' ' LEU . 1.0 OUTLIER -45.23 -55.14 6.13 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.14 -0.975 . . . . 0.0 109.474 -179.784 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -53.09 -31.41 41.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.243 -0.911 . . . . 0.0 109.592 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.28 -23.84 65.72 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.214 -0.929 . . . . 0.0 109.424 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 91.33 32.67 8.61 Favored Glycine 0 N--CA 1.491 2.336 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -74.71 126.76 31.56 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.267 -1.137 . . . . 0.0 109.663 -179.844 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.623 ' HB3' ' HB2' ' A' ' 37' ' ' ALA . 0.3 OUTLIER -40.78 102.96 0.28 Allowed Pre-proline 0 N--CA 1.491 1.595 0 O-C-N 121.262 -0.899 . . . . 0.0 109.673 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -56.19 -9.88 3.9 Favored 'Trans proline' 0 N--CA 1.494 1.521 0 C-N-CA 122.598 2.198 . . . . 0.0 112.475 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -119.34 15.35 13.02 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.043 -1.036 . . . . 0.0 109.97 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.623 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . . . -85.26 4.3 35.47 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.131 -0.981 . . . . 0.0 109.206 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 64.19 143.09 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.369 -0.832 . . . . 0.0 109.475 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -127.62 160.2 32.35 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.263 -0.898 . . . . 0.0 109.428 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -109.81 127.01 54.38 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.208 -0.932 . . . . 0.0 109.551 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mm -101.61 132.13 48.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.249 -0.907 . . . . 0.0 109.188 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -115.95 124.21 49.99 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.305 -0.872 . . . . 0.0 109.379 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.495 ' CD2' ' N ' ' A' ' 43' ' ' HIS . 6.4 m-70 -114.88 139.15 50.01 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.172 -0.955 . . . . 0.0 109.532 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.533 ' ND1' ' O ' ' A' ' 117' ' ' GLY . 14.8 m80 -103.1 120.07 40.01 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.316 -0.865 . . . . 0.0 109.564 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.453 ' HB2' ' CE2' ' A' ' 84' ' ' PHE . 4.1 mp -127.45 136.05 51.26 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.266 -0.896 . . . . 0.0 109.031 179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.629 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -126.42 167.97 14.84 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.148 -0.97 . . . . 0.0 109.989 -179.571 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.561 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -152.11 177.28 10.67 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.433 -0.792 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -113.82 -28.84 7.28 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.166 -0.959 . . . . 0.0 109.657 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 51' ' ' ASP . 2.6 t70 -117.98 111.18 18.61 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.203 -0.936 . . . . 0.0 109.764 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -47.5 -20.51 0.24 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.291 -0.881 . . . . 0.0 109.188 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.419 ' N ' ' O ' ' A' ' 49' ' ' ASP . 15.7 t70 -65.7 -69.91 0.27 Allowed 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.327 -0.858 . . . . 0.0 109.377 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.08 -26.5 64.69 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.163 -0.96 . . . . 0.0 109.251 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.664 ' C ' HD23 ' A' ' 53' ' ' LEU . 5.2 tt -64.98 -59.81 3.75 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.327 -0.858 . . . . 0.0 109.452 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -50.31 -38.52 42.03 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.344 -0.847 . . . . 0.0 109.416 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -58.62 -50.31 74.32 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.366 -0.834 . . . . 0.0 109.672 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 57' ' ' ALA . . . -67.08 -64.13 0.92 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.191 -0.943 . . . . 0.0 109.529 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' A' ' 56' ' ' ALA . . . -41.21 -47.47 3.33 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.301 -0.875 . . . . 0.0 109.674 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.5 t -54.47 -50.32 58.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.203 -0.936 . . . . 0.0 109.626 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -59.81 -39.0 83.54 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.227 -0.921 . . . . 0.0 109.658 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.43 -58.72 7.37 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.233 -0.917 . . . . 0.0 109.281 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -48.4 -47.26 37.85 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.285 -0.885 . . . . 0.0 109.269 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.473 ' NZ ' ' HB3' ' A' ' 62' ' ' LYS . 1.4 mtpm? -49.27 -60.05 3.15 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.319 -0.863 . . . . 0.0 109.373 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 20.6 mtm -47.41 -60.03 2.8 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.304 -0.873 . . . . 0.0 109.366 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 158.19 32.66 0.02 OUTLIER Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.579 -1.408 . . . . 0.0 109.579 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.505 ' CE2' HD21 ' A' ' 104' ' ' LEU . 58.2 m-85 -102.26 148.84 24.95 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.249 -1.148 . . . . 0.0 109.378 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -98.97 82.06 2.7 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.235 -0.916 . . . . 0.0 109.311 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.5 p -60.2 124.27 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.2 -0.937 . . . . 0.0 109.601 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.649 HD23 ' H ' ' A' ' 69' ' ' GLU . 0.6 OUTLIER -102.95 143.98 31.84 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.291 -0.88 . . . . 0.0 109.188 179.762 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.649 ' H ' HD23 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -40.01 164.03 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.233 -0.917 . . . . 0.0 109.354 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.408 ' HB1' ' N ' ' A' ' 83' ' ' CYS . . . -112.08 175.8 5.28 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.242 -0.911 . . . . 0.0 109.53 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.464 ' OE1' ' C ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -135.27 153.52 51.87 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.29 -0.881 . . . . 0.0 109.398 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.464 ' C ' ' OE1' ' A' ' 71' ' ' GLU . 1.3 mm-40 -75.87 104.59 6.48 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.312 -0.868 . . . . 0.0 109.366 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.562 ' OG1' ' N ' ' A' ' 74' ' ' GLU . 2.1 t -127.1 -143.34 0.29 Allowed 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.267 -0.896 . . . . 0.0 109.471 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.562 ' N ' ' OG1' ' A' ' 73' ' ' THR . 6.5 pt-20 -170.99 168.42 6.98 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.326 -0.859 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.531 ' OD1' ' O ' ' A' ' 74' ' ' GLU . 8.2 m-20 -144.96 -121.19 0.08 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.207 -0.933 . . . . 0.0 109.653 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.433 ' O ' ' CB ' ' A' ' 77' ' ' ASP . 14.4 mt-10 -96.68 16.94 17.6 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.255 -0.903 . . . . 0.0 109.754 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.433 ' CB ' ' O ' ' A' ' 76' ' ' GLU . 0.4 OUTLIER 169.2 8.85 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.167 -0.958 . . . . 0.0 109.58 179.832 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.652 ' O ' ' N ' ' A' ' 80' ' ' LYS . . . -76.47 -50.84 7.0 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.303 -1.519 . . . . 0.0 109.303 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 61.57 -35.66 0.1 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.236 -1.156 . . . . 0.0 109.731 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.652 ' N ' ' O ' ' A' ' 78' ' ' GLY . 15.0 tptt -170.14 73.25 0.07 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.122 -0.986 . . . . 0.0 109.718 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.448 HD12 ' C ' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -119.06 -167.34 1.37 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.16 -0.962 . . . . 0.0 109.293 179.637 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.9 mp -120.14 141.6 49.69 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.079 -1.013 . . . . 0.0 109.748 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.461 ' O ' ' SG ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER -130.5 101.94 5.94 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.325 -0.859 . . . . 0.0 109.222 179.704 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.484 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 5.6 p90 -91.71 149.92 21.38 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.128 -0.982 . . . . 0.0 109.466 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.544 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -103.73 156.16 18.02 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.328 -0.857 . . . . 0.0 109.556 -179.822 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -131.53 131.34 43.32 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.264 -0.897 . . . . 0.0 109.369 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.59 143.43 45.62 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.227 -0.921 . . . . 0.0 109.517 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.89 118.42 6.52 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.319 -0.863 . . . . 0.0 109.582 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -71.04 119.62 15.42 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.244 -0.91 . . . . 0.0 109.088 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.46 140.52 31.94 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.061 -1.024 . . . . 0.0 109.818 -179.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.88 142.8 52.89 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.262 -0.899 . . . . 0.0 109.268 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.493 ' O ' ' OD1' ' A' ' 93' ' ' ASP . 1.0 OUTLIER -58.59 109.87 0.88 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.277 -0.889 . . . . 0.0 109.57 -179.85 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.493 ' OD1' ' O ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER -170.05 130.36 0.97 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.334 -0.854 . . . . 0.0 109.368 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -62.65 -50.1 72.55 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.172 -0.955 . . . . 0.0 109.725 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.0 ttpm? -52.55 -29.32 24.83 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.233 -0.917 . . . . 0.0 109.608 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 96' ' ' LEU . 0.2 OUTLIER -74.52 -50.62 17.4 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.199 -0.938 . . . . 0.0 109.54 -179.847 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 51.5 mt -64.54 -28.87 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.355 -0.841 . . . . 0.0 109.682 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.69 -50.35 58.08 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.245 -0.909 . . . . 0.0 109.635 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.66 -48.12 82.16 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.214 -0.929 . . . . 0.0 109.62 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.658 ' N ' ' OE1' ' A' ' 100' ' ' GLN . 0.9 OUTLIER -64.38 -41.98 96.41 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.172 -0.955 . . . . 0.0 109.629 -179.875 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 102' ' ' GLU . 2.3 t -58.6 -61.59 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.194 -0.941 . . . . 0.0 109.641 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.492 ' N ' HG12 ' A' ' 101' ' ' VAL . 9.3 mt-10 -45.9 -45.12 15.13 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.247 -0.908 . . . . 0.0 109.755 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -56.0 -55.98 26.24 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.235 -0.916 . . . . 0.0 109.927 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.505 HD21 ' CE2' ' A' ' 65' ' ' PHE . 70.3 mt -61.7 -34.13 75.24 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.292 -0.88 . . . . 0.0 109.964 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.7 t -66.51 -45.22 89.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.177 -0.952 . . . . 0.0 109.725 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.738 HD22 ' N ' ' A' ' 106' ' ' ASN . 0.8 OUTLIER -63.36 -56.11 19.01 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.179 -0.951 . . . . 0.0 109.789 -179.816 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.4 tp -58.46 -47.62 83.44 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.202 -0.936 . . . . 0.0 109.725 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -48.38 -45.18 35.47 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.205 -0.934 . . . . 0.0 109.576 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.87 -25.43 48.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.168 -0.957 . . . . 0.0 109.569 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 6.1 tttp -62.91 -31.95 73.12 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.175 -0.953 . . . . 0.0 109.646 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.491 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 4.4 m-85 -99.19 -77.19 0.52 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.149 -0.97 . . . . 0.0 109.594 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.7 OUTLIER 166.48 36.26 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.174 -0.954 . . . . 0.0 109.734 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.428 HG22 ' HB2' ' A' ' 47' ' ' ALA . 24.1 pt -118.3 137.24 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.119 -0.988 . . . . 0.0 109.335 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.544 HD12 ' N ' ' A' ' 115' ' ' TYR . 0.2 OUTLIER -86.45 113.7 24.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.222 -0.923 . . . . 0.0 109.651 -179.837 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.544 ' N ' HD12 ' A' ' 114' ' ' ILE . 1.0 OUTLIER -99.95 102.65 14.09 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.321 -0.862 . . . . 0.0 109.333 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -152.21 88.26 1.37 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.263 -0.898 . . . . 0.0 109.538 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.533 ' O ' ' ND1' ' A' ' 44' ' ' HIS . . . 162.91 73.86 0.02 OUTLIER Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.361 -1.496 . . . . 0.0 109.361 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.525 ' O ' ' CG ' ' A' ' 118' ' ' TRP . 5.9 p-90 -108.69 129.16 55.35 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.188 -1.183 . . . . 0.0 109.532 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -143.71 143.14 11.92 Favored Glycine 0 N--CA 1.49 2.261 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.8 t -100.18 177.9 4.94 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.216 -1.167 . . . . 0.0 109.621 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.566 ' CZ ' ' O ' ' A' ' 122' ' ' TYR . 1.7 t80 -134.38 131.16 37.91 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.331 -0.856 . . . . 0.0 109.291 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.566 ' O ' ' CZ ' ' A' ' 121' ' ' TYR . 0.7 OUTLIER -54.89 150.21 10.36 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.289 -0.882 . . . . 0.0 109.482 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -76.68 42.68 0.3 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.287 -0.883 . . . . 0.0 109.513 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 119.39 174.03 15.61 Favored Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 18.4 mt -130.12 145.32 51.69 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.303 -1.116 . . . . 0.0 109.464 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.69 ' O ' ' CG ' ' A' ' 127' ' ' HIS . 2.9 mt-10 -130.78 76.68 1.74 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.334 -0.854 . . . . 0.0 109.543 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.69 ' CG ' ' O ' ' A' ' 126' ' ' GLU . 13.9 m80 -163.23 -7.19 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.236 -0.915 . . . . 0.0 109.561 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -81.36 162.28 23.46 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.19 -0.944 . . . . 0.0 109.644 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.618 ' CD2' ' N ' ' A' ' 129' ' ' HIS . 0.0 OUTLIER -136.19 142.52 44.12 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.357 -0.839 . . . . 0.0 109.336 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -130.34 172.78 11.47 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.248 -0.907 . . . . 0.0 109.517 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.469 ' O ' ' C ' ' A' ' 132' ' ' HIS . 1.9 m80 -167.13 -90.81 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.33 -0.856 . . . . 0.0 109.505 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.469 ' C ' ' O ' ' A' ' 131' ' ' HIS . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.428 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -158.46 27.08 0.24 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.325 -0.86 . . . . 0.0 109.465 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.452 ' H ' ' CD2' ' A' ' 3' ' ' HIS . 0.2 OUTLIER -133.15 38.19 3.35 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.268 -0.895 . . . . 0.0 109.538 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.472 ' CD ' ' H ' ' A' ' 5' ' ' ASP . 0.0 OUTLIER -157.99 146.67 19.15 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.234 -0.916 . . . . 0.0 109.377 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.513 ' OD1' ' C ' ' A' ' 5' ' ' ASP . 17.6 t0 -155.36 124.85 6.37 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.207 -0.933 . . . . 0.0 109.604 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.499 ' O ' ' C ' ' A' ' 7' ' ' TYR . 5.9 t70 -158.45 85.45 0.85 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.371 -0.831 . . . . 0.0 109.243 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.499 ' C ' ' O ' ' A' ' 6' ' ' ASP . 1.0 OUTLIER 39.95 79.07 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.194 -0.941 . . . . 0.0 109.148 -179.722 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.555 ' O ' ' OG ' ' A' ' 9' ' ' SER . 10.3 mp -62.81 164.63 7.67 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.291 -0.88 . . . . 0.0 109.738 -179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.555 ' OG ' ' O ' ' A' ' 8' ' ' LEU . 1.9 m -172.75 -53.92 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.337 -0.852 . . . . 0.0 109.039 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.457 HG23 ' H ' ' A' ' 10' ' ' VAL . 0.8 OUTLIER -57.13 -27.02 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.311 -0.868 . . . . 0.0 109.177 179.709 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -71.82 -21.68 61.66 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.347 -0.846 . . . . 0.0 109.316 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -74.71 -48.19 27.29 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.335 -0.853 . . . . 0.0 109.361 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.465 ' N ' HD23 ' A' ' 13' ' ' LEU . 8.0 mt -61.28 -45.99 92.19 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.328 -0.857 . . . . 0.0 109.482 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.0 mt -62.05 -54.56 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.155 -0.966 . . . . 0.0 109.52 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -52.17 -55.1 23.19 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.171 -0.956 . . . . 0.0 109.556 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 21.7 mt -47.52 -37.18 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.265 -0.897 . . . . 0.0 109.751 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.503 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.9 OUTLIER -73.53 -35.8 65.61 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.205 -0.934 . . . . 0.0 109.591 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -59.7 -44.25 93.76 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.253 -0.904 . . . . 0.0 109.606 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -68.44 -55.43 11.9 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.282 -0.886 . . . . 0.0 109.693 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -56.06 -27.83 55.08 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.263 -0.898 . . . . 0.0 109.723 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.503 ' OG1' ' O ' ' A' ' 17' ' ' GLN . 68.8 m -67.91 -53.0 29.84 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.12 -0.988 . . . . 0.0 109.709 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.4 mtp180 -58.35 -27.32 64.07 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.222 -0.924 . . . . 0.0 109.482 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -74.37 -52.19 12.88 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.159 -0.963 . . . . 0.0 109.478 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 84.8 mt -61.86 -55.05 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.246 -0.909 . . . . 0.0 109.437 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.2 mp -54.65 -32.81 26.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.142 -0.974 . . . . 0.0 109.227 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.562 ' O ' ' NE2' ' A' ' 26' ' ' GLN . 6.9 tp60 -68.71 -57.52 5.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.202 -0.936 . . . . 0.0 109.625 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.08 -51.9 60.35 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.217 -0.927 . . . . 0.0 109.782 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.99 -48.28 80.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.219 -0.926 . . . . 0.0 109.609 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.485 ' HA ' HD23 ' A' ' 29' ' ' LEU . 12.3 mt -53.55 -45.27 69.79 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.292 -0.88 . . . . 0.0 109.383 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.444 ' CG ' HE22 ' A' ' 26' ' ' GLN . 6.8 mt-10 -68.35 -30.84 69.88 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.253 -0.904 . . . . 0.0 109.476 179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -61.25 -36.34 79.73 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.198 -0.939 . . . . 0.0 109.482 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.561 ' O ' ' O ' ' A' ' 33' ' ' SER . . . 123.64 15.8 3.54 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.929 -1.268 . . . . 0.0 109.929 179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.561 ' O ' ' O ' ' A' ' 32' ' ' GLY . 1.3 t -48.32 -175.89 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.13 -1.217 . . . . 0.0 109.303 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -142.14 88.88 8.94 Favored Pre-proline 0 N--CA 1.49 1.552 0 O-C-N 121.156 -0.965 . . . . 0.0 109.504 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -54.32 -17.72 12.74 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.914 2.409 . . . . 0.0 112.291 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -88.9 12.72 14.49 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.244 -0.91 . . . . 0.0 109.635 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.518 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -120.34 26.88 8.93 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.177 -0.952 . . . . 0.0 109.475 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.518 ' O ' ' O ' ' A' ' 37' ' ' ALA . 27.4 mt 55.45 160.7 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.23 -0.919 . . . . 0.0 109.36 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -141.67 171.69 13.72 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.271 -0.893 . . . . 0.0 109.428 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.81 ' C ' HD12 ' A' ' 41' ' ' ILE . 3.5 tt0 -122.56 128.98 51.43 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.228 -0.92 . . . . 0.0 109.623 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.81 HD12 ' C ' ' A' ' 40' ' ' GLU . 2.5 mp -122.39 129.32 75.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.322 -0.861 . . . . 0.0 109.23 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -116.02 146.01 42.51 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.22 -0.925 . . . . 0.0 109.488 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.581 ' CD2' ' N ' ' A' ' 43' ' ' HIS . 1.1 m-70 -121.91 154.04 37.65 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.343 -0.848 . . . . 0.0 109.538 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.682 ' C ' HD12 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -120.74 135.62 55.09 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.283 -0.886 . . . . 0.0 109.318 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.792 ' N ' HD12 ' A' ' 45' ' ' LEU . 1.4 mp -144.77 146.34 32.1 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.218 -0.927 . . . . 0.0 109.636 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.647 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -125.38 160.84 28.39 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.313 -0.867 . . . . 0.0 109.753 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.421 ' HB3' HD12 ' A' ' 53' ' ' LEU . . . -141.6 -179.46 6.18 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.376 -0.827 . . . . 0.0 109.545 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -108.76 -45.65 3.79 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.178 -0.951 . . . . 0.0 110.119 -179.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -100.84 143.91 30.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.076 -1.015 . . . . 0.0 109.976 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.499 ' CD1' ' N ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -64.61 -30.51 71.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.254 -0.904 . . . . 0.0 109.088 179.721 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.487 ' O ' ' C ' ' A' ' 52' ' ' LYS . 16.9 m-20 -70.62 -72.04 0.22 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.243 -0.911 . . . . 0.0 109.247 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.487 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -39.91 -35.44 0.36 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.251 -0.906 . . . . 0.0 109.074 179.788 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.532 ' C ' HD23 ' A' ' 53' ' ' LEU . 5.0 tt -66.53 -53.75 31.35 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.403 -0.81 . . . . 0.0 109.418 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.776 ' O ' HG23 ' A' ' 58' ' ' VAL . 15.7 tt0 -55.9 -25.23 41.95 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.304 -0.872 . . . . 0.0 109.538 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt -76.83 -65.6 0.92 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.178 -0.951 . . . . 0.0 109.352 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.92 -41.35 33.45 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.178 -0.951 . . . . 0.0 109.046 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.557 ' HB1' HG21 ' A' ' 67' ' ' VAL . . . -64.93 -49.02 72.02 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.284 -0.885 . . . . 0.0 109.198 179.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 54' ' ' GLU . 17.3 t -50.74 -53.75 12.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.302 -0.874 . . . . 0.0 109.203 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -51.41 -41.99 61.15 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.222 -0.924 . . . . 0.0 109.3 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.69 -58.08 8.92 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.355 -0.841 . . . . 0.0 109.306 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 61' ' ' PHE . 15.3 t80 -47.75 -60.1 2.81 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.264 -0.897 . . . . 0.0 109.44 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -48.36 -42.36 31.36 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.297 -0.877 . . . . 0.0 109.626 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 28.7 mtm -66.09 -24.96 66.8 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.187 -0.946 . . . . 0.0 109.536 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 113.58 52.29 0.48 Allowed Glycine 0 N--CA 1.491 2.364 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.618 ' CZ ' ' CE ' ' A' ' 88' ' ' MET . 23.9 m-85 -132.58 118.44 19.21 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.251 -1.147 . . . . 0.0 109.256 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.47 88.15 0.06 Allowed 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.153 -0.967 . . . . 0.0 109.266 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.557 HG21 ' HB1' ' A' ' 57' ' ' ALA . 9.3 p -70.19 145.65 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.348 -0.845 . . . . 0.0 109.731 -179.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.534 HD22 ' O ' ' A' ' 67' ' ' VAL . 0.7 OUTLIER -125.28 138.97 54.09 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.213 -0.929 . . . . 0.0 109.3 179.829 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -46.02 164.6 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.187 -0.945 . . . . 0.0 109.648 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.449 ' HB1' ' N ' ' A' ' 83' ' ' CYS . . . -107.88 180.0 4.06 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.204 -0.935 . . . . 0.0 109.491 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 72' ' ' GLU . 0.4 OUTLIER -148.31 118.81 7.41 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.274 -0.891 . . . . 0.0 109.393 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -41.63 117.15 0.88 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.176 -0.952 . . . . 0.0 109.406 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.488 HG23 ' N ' ' A' ' 74' ' ' GLU . 14.3 t -116.4 -150.71 0.47 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.35 -0.844 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.488 ' N ' HG23 ' A' ' 73' ' ' THR . 4.6 mt-10 -149.32 122.07 8.67 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.189 -0.944 . . . . 0.0 109.619 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -91.44 -60.56 1.85 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.233 -0.917 . . . . 0.0 109.265 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 78' ' ' GLY . 2.2 tt0 -96.37 30.05 2.66 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.352 -0.843 . . . . 0.0 109.326 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 51.91 10.26 0.11 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.235 -0.916 . . . . 0.0 109.359 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 76' ' ' GLU . . . -142.81 16.78 2.4 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.416 -1.473 . . . . 0.0 109.416 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -132.2 -178.15 4.78 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.223 -1.163 . . . . 0.0 109.456 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.87 110.06 2.83 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.277 -0.89 . . . . 0.0 109.401 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.56 168.71 15.99 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.262 -0.899 . . . . 0.0 109.519 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.829 ' N ' HD12 ' A' ' 82' ' ' LEU . 4.1 mp -98.3 131.51 44.56 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.175 -0.953 . . . . 0.0 109.573 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.449 ' N ' ' HB1' ' A' ' 70' ' ' ALA . 1.7 p -124.35 113.84 18.74 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.402 -0.811 . . . . 0.0 109.505 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.526 ' CD1' HD21 ' A' ' 53' ' ' LEU . 5.3 p90 -100.44 162.01 13.22 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.2 -0.937 . . . . 0.0 109.219 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.531 ' OD1' ' NE2' ' A' ' 44' ' ' HIS . 0.4 OUTLIER -122.6 165.58 16.23 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.153 -0.967 . . . . 0.0 109.956 -179.575 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -139.66 160.75 39.15 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.387 -0.821 . . . . 0.0 109.037 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -139.02 150.01 45.31 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.029 -1.044 . . . . 0.0 110.105 -179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.618 ' CE ' ' CZ ' ' A' ' 65' ' ' PHE . 7.4 ttm -156.66 128.69 7.34 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.432 -0.793 . . . . 0.0 109.024 179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.417 HE21 ' HG3' ' A' ' 40' ' ' GLU . 4.0 mt-30 -96.56 142.68 28.34 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.192 -0.943 . . . . 0.0 109.846 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 60.4 p -173.08 -176.91 1.47 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.37 -0.831 . . . . 0.0 109.306 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 93' ' ' ASP . . . -81.46 110.65 17.07 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.215 -0.928 . . . . 0.0 109.643 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 91' ' ' ALA . 14.1 tp -42.28 96.35 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.273 -0.892 . . . . 0.0 109.406 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 91' ' ' ALA . 0.6 OUTLIER -144.1 138.34 28.17 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.252 -0.905 . . . . 0.0 109.586 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.55 -45.31 92.19 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.241 -0.912 . . . . 0.0 109.696 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -53.94 -51.38 64.01 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.154 -0.966 . . . . 0.0 109.53 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 97' ' ' ILE . 4.0 mp -60.49 -65.08 0.74 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.181 -0.949 . . . . 0.0 109.358 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 96' ' ' LEU . 25.7 mt -42.69 -38.88 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.272 -0.892 . . . . 0.0 109.608 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -62.62 -53.83 48.65 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.223 -0.923 . . . . 0.0 109.768 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -63.13 -46.6 86.5 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.25 -0.906 . . . . 0.0 109.886 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -56.73 -53.12 61.46 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.194 -0.941 . . . . 0.0 109.525 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.662 HG13 ' CZ ' ' A' ' 115' ' ' TYR . 44.2 t -61.35 -54.47 34.71 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.156 -0.965 . . . . 0.0 109.422 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 101' ' ' VAL . 21.7 mt-10 -42.08 -35.97 1.04 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.285 -0.884 . . . . 0.0 109.512 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.0 mttp -68.41 -62.83 1.22 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.285 -0.884 . . . . 0.0 109.406 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.416 ' H ' ' HG ' ' A' ' 104' ' ' LEU . 35.4 mt -53.03 -20.77 3.78 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.355 -0.841 . . . . 0.0 109.451 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 22.0 t -74.46 -66.03 0.63 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.248 -0.907 . . . . 0.0 109.372 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 64.0 m-20 -50.88 -51.08 55.12 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.271 -0.893 . . . . 0.0 109.464 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.437 HD23 ' N ' ' A' ' 108' ' ' ALA . 1.5 tt -54.54 -46.16 73.54 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.324 -0.86 . . . . 0.0 109.759 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.537 ' HB1' HG13 ' A' ' 113' ' ' ILE . . . -53.15 -63.29 1.2 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.205 -0.934 . . . . 0.0 109.644 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.587 ' N ' ' OE1' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -55.1 -41.39 71.56 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.205 -0.934 . . . . 0.0 109.806 -179.774 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -54.94 -29.71 57.07 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.255 -0.903 . . . . 0.0 109.665 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.548 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 7.5 m-85 -95.14 -76.07 0.5 Allowed 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.215 -0.928 . . . . 0.0 109.51 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.548 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.9 OUTLIER 160.91 34.6 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.425 -0.797 . . . . 0.0 109.031 -179.833 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.537 HG13 ' HB1' ' A' ' 108' ' ' ALA . 13.2 pt -119.17 166.01 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.345 -0.847 . . . . 0.0 109.567 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.663 HD12 ' N ' ' A' ' 115' ' ' TYR . 0.1 OUTLIER -114.37 113.25 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.304 -0.873 . . . . 0.0 109.353 179.825 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.663 ' N ' HD12 ' A' ' 114' ' ' ILE . 1.1 t80 -93.12 114.38 26.89 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.299 -0.876 . . . . 0.0 109.394 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.483 ' O ' ' OD1' ' A' ' 116' ' ' ASP . 5.5 t0 -162.74 84.36 0.53 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.272 -0.893 . . . . 0.0 109.4 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 163.08 83.33 0.05 OUTLIER Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 5.0 p-90 -119.63 157.76 27.79 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.245 -1.15 . . . . 0.0 109.42 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 175.26 157.14 15.86 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.649 -1.38 . . . . 0.0 109.649 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 1.4 t -120.47 167.41 12.4 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.284 -1.127 . . . . 0.0 109.342 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.86 146.99 41.54 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.234 -0.916 . . . . 0.0 109.45 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -63.17 140.04 58.83 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.19 -0.944 . . . . 0.0 109.301 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -100.74 105.19 16.5 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.182 -0.949 . . . . 0.0 109.558 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 104.81 72.35 0.87 Allowed Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.803 -1.319 . . . . 0.0 109.803 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.6 mt -84.82 70.63 10.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.243 -1.151 . . . . 0.0 109.374 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -149.96 12.31 0.76 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.153 -0.967 . . . . 0.0 109.591 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -110.41 52.0 0.74 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.204 -0.935 . . . . 0.0 109.478 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -108.02 129.43 55.13 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.313 -0.867 . . . . 0.0 109.424 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.623 ' CG ' ' N ' ' A' ' 130' ' ' HIS . 0.1 OUTLIER -69.75 -96.21 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.162 -0.961 . . . . 0.0 109.491 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.623 ' N ' ' CG ' ' A' ' 129' ' ' HIS . 3.7 t-160 -98.77 24.58 7.43 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.225 -0.922 . . . . 0.0 109.48 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 54.35 5.19 0.07 Allowed 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.146 -0.972 . . . . 0.0 109.488 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.501 ' H ' ' C ' ' A' ' 130' ' ' HIS . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 117.992 -1.004 . . . . 0.0 109.441 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.7 mmt . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 p -105.84 -43.33 4.91 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.254 -0.904 . . . . 0.0 109.393 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -164.97 -81.33 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.226 -0.921 . . . . 0.0 109.583 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -147.27 160.68 42.22 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.319 -0.863 . . . . 0.0 109.512 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.666 ' OD1' ' N ' ' A' ' 6' ' ' ASP . 8.7 t0 -115.64 162.11 17.71 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.228 -0.92 . . . . 0.0 109.236 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.666 ' N ' ' OD1' ' A' ' 5' ' ' ASP . 4.8 m-20 54.38 157.46 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.186 -0.946 . . . . 0.0 109.164 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -128.6 158.95 37.05 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.208 -0.932 . . . . 0.0 109.663 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.13 56.42 3.17 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.312 -0.867 . . . . 0.0 109.602 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.492 ' O ' ' C ' ' A' ' 10' ' ' VAL . 0.0 OUTLIER -130.54 -55.77 1.08 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.219 -0.926 . . . . 0.0 109.328 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.492 ' C ' ' O ' ' A' ' 9' ' ' SER . 4.9 m -39.98 -31.22 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 O-C-N 121.247 -0.908 . . . . 0.0 109.21 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.468 ' O ' ' C ' ' A' ' 12' ' ' GLU . 12.0 tp10 -82.01 -61.8 1.81 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.337 -0.852 . . . . 0.0 109.365 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.486 ' CD ' ' C ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -40.62 -31.93 0.18 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.175 -0.953 . . . . 0.0 108.983 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.435 ' N ' ' HG3' ' A' ' 12' ' ' GLU . 0.8 OUTLIER -68.67 -59.73 2.91 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.296 -0.878 . . . . 0.0 108.934 179.546 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 14.1 mt -53.79 -35.3 26.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.292 -0.88 . . . . 0.0 109.225 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.25 -63.13 1.39 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.478 -0.763 . . . . 0.0 109.591 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 60.1 mt -54.11 -61.04 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.32 -0.862 . . . . 0.0 109.789 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -46.38 -48.54 18.58 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.146 -0.971 . . . . 0.0 109.673 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.446 ' HZ2' ' HB3' ' A' ' 18' ' ' LYS . 11.2 ttpp -59.59 -57.69 11.84 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.234 -0.916 . . . . 0.0 109.626 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -50.6 -63.91 0.98 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.271 -0.893 . . . . 0.0 109.583 -179.913 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' THR . 41.5 tt0 -41.81 -67.4 0.26 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.281 -0.887 . . . . 0.0 109.592 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.53 ' O ' ' C ' ' A' ' 22' ' ' ARG . 84.8 m -41.69 -64.81 0.52 Allowed 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.211 -0.931 . . . . 0.0 109.591 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.53 ' C ' ' O ' ' A' ' 21' ' ' THR . 6.2 mtm180 -35.06 -35.37 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.206 -0.934 . . . . 0.0 109.551 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 21' ' ' THR . 1.0 OUTLIER -74.48 -44.62 50.68 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.23 -0.919 . . . . 0.0 109.438 179.857 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' A' ' 21' ' ' THR . 62.8 mt -60.38 -54.13 39.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.22 -0.925 . . . . 0.0 109.373 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.424 ' H ' HG12 ' A' ' 25' ' ' ILE . 17.2 mm -52.28 -56.69 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.317 -0.864 . . . . 0.0 109.579 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -51.77 -29.02 17.19 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.258 -0.901 . . . . 0.0 109.465 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 24' ' ' ILE . . . -71.57 -65.4 0.76 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.239 -0.913 . . . . 0.0 109.447 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.582 HD22 ' CD1' ' A' ' 122' ' ' TYR . 86.9 mt -52.7 -39.77 62.32 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.285 -0.885 . . . . 0.0 109.589 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.49 ' HA ' HD22 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -64.61 -56.74 11.95 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.233 -0.917 . . . . 0.0 109.417 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -52.43 -26.2 12.05 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.265 -0.897 . . . . 0.0 109.498 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.46 -37.48 74.29 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.246 -0.909 . . . . 0.0 109.636 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 123.83 18.18 2.97 Favored Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.551 -1.419 . . . . 0.0 109.551 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.2 p -46.98 168.93 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.25 -1.147 . . . . 0.0 109.644 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -119.49 92.31 45.79 Favored Pre-proline 0 N--CA 1.49 1.574 0 O-C-N 121.341 -0.85 . . . . 0.0 109.35 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -53.62 -27.53 42.1 Favored 'Trans proline' 0 C--N 1.307 -1.613 0 C-N-CA 122.87 2.38 . . . . 0.0 112.511 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -79.05 10.55 3.38 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.173 -0.954 . . . . 0.0 109.741 -179.722 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.455 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -104.98 12.36 32.43 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.183 -0.948 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' A' ' 37' ' ' ALA . 9.2 tp 60.29 146.66 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.257 -0.902 . . . . 0.0 109.596 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.411 ' CD2' HD13 ' A' ' 92' ' ' LEU . 1.9 m-85 -130.75 153.92 48.52 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.399 -0.813 . . . . 0.0 109.476 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.477 ' C ' HD13 ' A' ' 41' ' ' ILE . 2.4 pt-20 -115.93 119.41 35.84 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.261 -0.9 . . . . 0.0 109.538 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.544 HD13 ' N ' ' A' ' 41' ' ' ILE . 3.4 mm -97.36 156.66 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.216 -0.927 . . . . 0.0 109.443 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -138.69 125.49 20.98 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.179 -0.95 . . . . 0.0 109.507 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -111.3 134.81 52.62 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.325 -0.859 . . . . 0.0 109.486 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 5.0 m80 -98.72 123.77 43.14 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.216 -0.927 . . . . 0.0 109.182 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.5 ' HB2' ' CZ ' ' A' ' 84' ' ' PHE . 3.0 mp -132.75 135.84 45.98 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.105 -0.997 . . . . 0.0 109.713 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.723 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -123.41 154.43 39.04 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.233 -0.917 . . . . 0.0 109.502 179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -131.68 -179.95 5.69 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.394 -0.816 . . . . 0.0 109.463 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -107.42 -33.61 7.31 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.323 -0.861 . . . . 0.0 109.552 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.43 139.08 49.8 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.223 -0.923 . . . . 0.0 109.482 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -62.29 -33.24 74.27 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.234 -0.916 . . . . 0.0 109.317 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -61.34 -68.79 0.28 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.24 -0.913 . . . . 0.0 109.444 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 55' ' ' LYS . 1.1 tpmt? -45.99 -46.34 16.37 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.198 -0.939 . . . . 0.0 109.262 179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.468 ' C ' HD23 ' A' ' 53' ' ' LEU . 5.9 tt -44.55 -47.38 10.23 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.297 -0.877 . . . . 0.0 109.233 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.408 ' O ' HG23 ' A' ' 58' ' ' VAL . 7.5 tt0 -67.9 -26.64 66.09 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.273 -0.892 . . . . 0.0 109.315 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 52' ' ' LYS . 18.4 mmmt -72.08 -52.66 15.76 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.239 -0.913 . . . . 0.0 109.589 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.84 -37.78 79.39 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.227 -0.921 . . . . 0.0 109.682 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.41 ' HB1' HG21 ' A' ' 67' ' ' VAL . . . -67.45 -41.7 84.28 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.2 -0.937 . . . . 0.0 109.573 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 54' ' ' GLU . 2.9 t -58.06 -60.23 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.168 -0.957 . . . . 0.0 109.53 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -51.0 -36.66 40.55 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.273 -0.892 . . . . 0.0 109.557 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.88 -55.1 25.23 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.257 -0.902 . . . . 0.0 109.534 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -51.28 -49.14 61.8 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.257 -0.902 . . . . 0.0 109.565 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 63' ' ' MET . 1.3 ttpt -52.16 -55.49 20.68 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.223 -0.923 . . . . 0.0 109.51 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 62' ' ' LYS . 1.3 mtt -42.87 -41.02 3.14 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.234 -0.916 . . . . 0.0 109.518 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 139.14 19.89 0.46 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.56 ' CZ ' ' SD ' ' A' ' 88' ' ' MET . 12.5 m-85 -98.63 161.84 13.45 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.259 -1.142 . . . . 0.0 109.577 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -112.82 90.49 3.36 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.294 -0.879 . . . . 0.0 109.1 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.41 HG21 ' HB1' ' A' ' 57' ' ' ALA . 7.8 p -62.81 150.8 8.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.305 -0.872 . . . . 0.0 110.105 -179.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.635 ' N ' ' O ' ' A' ' 85' ' ' ASP . 10.4 tp -127.29 139.46 52.88 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.432 -0.792 . . . . 0.0 108.945 179.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 68' ' ' LEU . 7.6 mt-10 -42.16 154.67 0.05 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.161 -0.962 . . . . 0.0 109.88 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.422 ' HB1' ' N ' ' A' ' 83' ' ' CYS . . . -104.99 168.06 9.3 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.336 -0.853 . . . . 0.0 109.588 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.513 ' O ' ' C ' ' A' ' 72' ' ' GLU . 4.2 tt0 -133.29 108.57 8.82 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.27 -0.893 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.513 ' C ' ' O ' ' A' ' 71' ' ' GLU . 34.2 tt0 -37.68 113.99 0.31 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.22 -0.925 . . . . 0.0 109.481 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.502 HG23 ' N ' ' A' ' 74' ' ' GLU . 2.8 t -118.13 -124.27 0.28 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.227 -0.92 . . . . 0.0 109.38 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.502 ' N ' HG23 ' A' ' 73' ' ' THR . 1.5 pt-20 -177.87 150.4 0.63 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.363 -0.836 . . . . 0.0 109.434 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.547 ' C ' ' H ' ' A' ' 77' ' ' ASP . 29.9 t70 -80.99 52.86 1.85 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.239 -0.913 . . . . 0.0 109.52 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 53.49 4.14 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.242 -0.911 . . . . 0.0 109.527 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.547 ' H ' ' C ' ' A' ' 75' ' ' ASP . 0.4 OUTLIER -112.8 -38.41 4.57 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.131 -0.981 . . . . 0.0 109.513 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 132.7 0.04 4.48 Favored Glycine 0 N--CA 1.492 2.385 0 N-CA-C 109.654 -1.378 . . . . 0.0 109.654 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -66.28 171.8 4.47 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.174 -1.192 . . . . 0.0 109.378 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -117.13 123.64 47.25 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.203 -0.936 . . . . 0.0 109.689 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.41 HD12 ' C ' ' A' ' 81' ' ' LEU . 3.3 pp -153.36 160.46 42.67 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.278 -0.889 . . . . 0.0 109.29 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 mp -104.09 139.88 38.55 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.208 -0.933 . . . . 0.0 109.684 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.422 ' N ' ' HB1' ' A' ' 70' ' ' ALA . 2.5 t -125.98 103.3 7.67 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.383 -0.823 . . . . 0.0 109.329 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.515 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 4.0 p90 -91.95 155.74 17.93 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.158 -0.964 . . . . 0.0 109.025 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.635 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -114.93 147.42 40.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.168 -0.957 . . . . 0.0 110.141 -179.187 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -131.96 134.76 45.98 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.444 -0.785 . . . . 0.0 108.986 179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.444 HG22 ' O ' ' A' ' 41' ' ' ILE . 0.0 OUTLIER -113.62 164.44 13.67 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.183 -0.948 . . . . 0.0 109.738 -179.732 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.56 ' SD ' ' CZ ' ' A' ' 65' ' ' PHE . 9.9 ttt -160.66 111.85 1.86 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.313 -0.867 . . . . 0.0 109.513 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.52 ' CD ' ' N ' ' A' ' 89' ' ' GLN . 2.0 mp0 -70.34 138.54 51.53 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.253 -0.904 . . . . 0.0 109.504 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.39 -162.23 1.46 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.261 -0.899 . . . . 0.0 109.455 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.565 ' O ' ' C ' ' A' ' 92' ' ' LEU . . . -117.34 47.85 1.44 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.232 -0.918 . . . . 0.0 109.675 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.565 ' C ' ' O ' ' A' ' 91' ' ' ALA . 2.5 tp 32.14 95.92 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.54 -0.725 . . . . 0.0 109.726 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.78 123.65 6.22 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.207 -0.933 . . . . 0.0 109.634 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.26 -37.93 67.89 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.313 -0.867 . . . . 0.0 109.45 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 41.2 mttp -63.2 -45.37 92.02 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.308 -0.87 . . . . 0.0 109.414 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 97' ' ' ILE . 4.5 tp -67.46 -64.2 0.9 Allowed 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.287 -0.883 . . . . 0.0 109.313 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 96' ' ' LEU . 25.0 mt -42.35 -34.46 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 O-C-N 121.355 -0.841 . . . . 0.0 109.466 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -66.98 -48.8 67.37 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.261 -0.899 . . . . 0.0 109.539 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.418 ' C ' ' HZ3' ' A' ' 103' ' ' LYS . 7.5 mt-10 -61.96 -36.69 82.17 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.255 -0.903 . . . . 0.0 109.523 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -69.56 -50.64 42.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.228 -0.92 . . . . 0.0 109.65 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 22.7 t -61.69 -42.62 95.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.305 -0.872 . . . . 0.0 109.766 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -61.35 -39.53 90.94 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.308 -0.87 . . . . 0.0 109.745 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.418 ' HZ3' ' C ' ' A' ' 99' ' ' GLU . 29.3 mtmm -72.1 -36.58 69.5 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.106 -0.996 . . . . 0.0 109.628 -179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.3 mt -70.41 -34.45 72.53 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.191 -0.943 . . . . 0.0 109.444 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.52 HG12 ' N ' ' A' ' 106' ' ' ASN . 2.7 t -67.07 -66.22 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.291 -0.881 . . . . 0.0 109.625 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.52 ' N ' HG12 ' A' ' 105' ' ' VAL . 7.1 m-80 -47.07 -42.47 18.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.211 -0.931 . . . . 0.0 109.796 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 108' ' ' ALA . 3.4 tt -64.48 -53.1 53.53 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.246 -0.909 . . . . 0.0 109.87 -179.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.556 ' HB1' HG13 ' A' ' 113' ' ' ILE . . . -44.3 -57.04 3.72 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.226 -0.921 . . . . 0.0 109.757 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -60.0 -42.26 93.87 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.189 -0.945 . . . . 0.0 109.836 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -50.68 -32.97 20.82 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.141 -0.975 . . . . 0.0 109.566 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.546 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 10.6 m-85 -92.21 -74.97 0.5 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.255 -0.903 . . . . 0.0 109.591 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.546 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 1.4 m-20 160.64 35.76 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.284 -0.885 . . . . 0.0 109.424 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.556 HG13 ' HB1' ' A' ' 108' ' ' ALA . 5.3 pt -120.22 177.2 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.283 -0.885 . . . . 0.0 109.564 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.44 HG23 ' CD2' ' A' ' 46' ' ' PHE . 0.2 OUTLIER -125.61 104.81 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.352 -0.843 . . . . 0.0 109.117 179.727 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.566 ' C ' ' CD1' ' A' ' 115' ' ' TYR . 0.8 OUTLIER -94.52 119.59 33.45 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.226 -0.921 . . . . 0.0 109.518 -179.681 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.481 ' N ' ' CD1' ' A' ' 115' ' ' TYR . 5.7 t70 -163.67 74.46 0.33 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.224 -0.922 . . . . 0.0 109.613 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 168.47 96.12 0.1 Allowed Glycine 0 N--CA 1.489 2.219 0 N-CA-C 109.708 -1.357 . . . . 0.0 109.708 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.405 ' CH2' HG23 ' A' ' 21' ' ' THR . 4.4 p-90 -122.96 138.55 54.65 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.187 -1.184 . . . . 0.0 109.644 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -133.56 159.25 23.59 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 8.0 t -127.65 150.7 49.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.143 -1.21 . . . . 0.0 109.633 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -91.67 129.2 37.68 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.278 -0.889 . . . . 0.0 109.277 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.582 ' CD1' HD22 ' A' ' 28' ' ' LEU . 76.1 t80 -103.82 132.21 50.29 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.258 -0.901 . . . . 0.0 109.601 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -86.2 97.72 10.52 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.276 -0.89 . . . . 0.0 109.381 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 147.74 56.16 0.02 OUTLIER Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.4 mt -148.27 85.58 1.53 Allowed 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.207 -1.173 . . . . 0.0 109.359 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.426 ' H ' ' HG3' ' A' ' 126' ' ' GLU . 3.3 mt-10 -87.38 -148.13 0.15 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.262 -0.898 . . . . 0.0 109.515 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -151.96 120.57 6.48 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.261 -0.9 . . . . 0.0 109.511 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -177.79 -49.17 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.3 -0.875 . . . . 0.0 109.415 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -124.27 178.44 5.36 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.278 -0.889 . . . . 0.0 109.478 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.26 -166.04 1.12 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.225 -0.922 . . . . 0.0 109.52 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.739 ' ND1' ' N ' ' A' ' 131' ' ' HIS . 0.1 OUTLIER -108.87 63.9 0.61 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.263 -0.898 . . . . 0.0 109.424 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 15.7 m170 . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 118.051 -0.976 . . . . 0.0 109.49 -179.96 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.0 mtm . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.283 0.563 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.03 90.99 3.48 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.19 -0.944 . . . . 0.0 109.486 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.489 ' O ' ' CB ' ' A' ' 4' ' ' GLN . 2.6 p-80 -53.35 -27.94 26.22 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.203 -0.935 . . . . 0.0 109.502 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.489 ' CB ' ' O ' ' A' ' 3' ' ' HIS . 2.7 tt0 73.76 156.41 0.17 Allowed 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.252 -0.905 . . . . 0.0 109.514 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -87.91 -131.91 0.07 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.242 -0.911 . . . . 0.0 109.358 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.505 ' O ' ' O ' ' A' ' 7' ' ' TYR . 7.6 t70 -174.86 115.45 0.17 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.13 -0.981 . . . . 0.0 109.616 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.505 ' O ' ' O ' ' A' ' 6' ' ' ASP . 0.1 OUTLIER 44.41 98.23 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.333 -0.855 . . . . 0.0 109.859 179.83 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.657 ' O ' ' N ' ' A' ' 10' ' ' VAL . 0.1 OUTLIER -116.65 -89.23 0.58 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.286 -0.884 . . . . 0.0 109.289 179.655 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.91 -58.56 0.12 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.284 -0.885 . . . . 0.0 109.549 179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.657 ' N ' ' O ' ' A' ' 8' ' ' LEU . 6.5 m -48.02 -26.63 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.333 -0.854 . . . . 0.0 109.53 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -77.71 -33.49 53.05 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.217 -0.927 . . . . 0.0 109.424 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.406 ' H ' ' HG2' ' A' ' 12' ' ' GLU . 40.3 mm-40 -61.51 -53.7 52.93 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.211 -0.931 . . . . 0.0 109.331 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.0 mt -52.9 -50.38 64.03 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.33 -0.856 . . . . 0.0 109.232 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 78.6 mt -59.6 -30.41 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.335 -0.853 . . . . 0.0 109.557 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.7 -66.52 0.53 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.267 -0.895 . . . . 0.0 109.527 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 40.5 mt -52.05 -41.46 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.266 -0.896 . . . . 0.0 109.66 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.477 ' O ' ' C ' ' A' ' 18' ' ' LYS . 2.7 tp-100 -60.15 -60.43 3.83 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.183 -0.948 . . . . 0.0 109.669 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 17' ' ' GLN . 2.9 ttmt -40.49 -50.47 2.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.231 -0.918 . . . . 0.0 109.49 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -63.21 -50.44 70.27 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.265 -0.897 . . . . 0.0 109.618 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.449 ' O ' ' C ' ' A' ' 21' ' ' THR . 30.5 tt0 -49.39 -62.79 1.35 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.225 -0.922 . . . . 0.0 109.343 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.449 ' C ' ' O ' ' A' ' 20' ' ' GLU . 25.3 m -42.6 -53.77 4.27 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.173 -0.954 . . . . 0.0 109.315 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 21' ' ' THR . 24.4 ttp180 -43.53 -45.17 6.43 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.186 -0.946 . . . . 0.0 109.33 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -63.24 -39.02 93.44 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.275 -0.891 . . . . 0.0 109.473 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.472 ' O ' ' C ' ' A' ' 25' ' ' ILE . 39.0 mt -69.95 -64.31 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.216 -0.928 . . . . 0.0 109.401 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.472 ' C ' ' O ' ' A' ' 24' ' ' ILE . 19.1 mm -40.58 -44.31 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.259 -0.901 . . . . 0.0 109.192 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -58.96 5.71 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.407 -0.808 . . . . 0.0 109.399 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 28' ' ' LEU . . . -46.28 -66.32 0.42 Allowed 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.238 -0.914 . . . . 0.0 109.545 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.68 ' O ' ' N ' ' A' ' 32' ' ' GLY . 13.4 mt -43.02 -65.67 0.46 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.149 -0.969 . . . . 0.0 109.36 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.543 ' C ' ' O ' ' A' ' 28' ' ' LEU . 1.3 mm? -35.43 -52.33 0.63 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.239 -0.913 . . . . 0.0 109.393 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -61.29 -35.97 78.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.303 -0.873 . . . . 0.0 109.287 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.611 ' N ' ' O ' ' A' ' 28' ' ' LEU . 7.9 m-20 -140.05 56.92 1.62 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.28 -0.888 . . . . 0.0 109.498 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.68 ' N ' ' O ' ' A' ' 28' ' ' LEU . . . 167.2 30.74 0.02 OUTLIER Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.716 -1.353 . . . . 0.0 109.716 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.6 t -62.4 -115.49 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.22 -1.165 . . . . 0.0 109.527 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.524 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 0.6 OUTLIER 45.96 50.67 8.39 Favored Pre-proline 0 N--CA 1.49 1.525 0 O-C-N 121.19 -0.944 . . . . 0.0 109.507 -179.878 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.524 ' CD ' ' N ' ' A' ' 34' ' ' ASP . 35.6 Cg_endo -68.14 -8.02 21.6 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.794 2.329 . . . . 0.0 111.881 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -82.31 3.93 25.79 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.26 -0.9 . . . . 0.0 109.314 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.44 -107.98 0.14 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.301 -0.874 . . . . 0.0 109.354 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -167.89 144.54 4.12 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.273 -0.892 . . . . 0.0 109.354 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.577 ' CE2' HD13 ' A' ' 92' ' ' LEU . 2.3 m-85 -127.02 126.38 43.02 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.307 -0.871 . . . . 0.0 109.446 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.472 ' C ' HD12 ' A' ' 41' ' ' ILE . 2.1 pt-20 -98.73 120.61 39.46 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.129 -0.982 . . . . 0.0 109.334 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.627 HD12 ' N ' ' A' ' 41' ' ' ILE . 1.5 mp -94.4 148.21 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.284 -0.885 . . . . 0.0 109.945 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -124.15 112.73 17.44 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.391 -0.818 . . . . 0.0 109.079 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.4 ' C ' ' CD2' ' A' ' 44' ' ' HIS . 99.3 m-70 -97.19 158.49 15.42 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.236 -0.915 . . . . 0.0 109.805 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.551 ' ND1' ' O ' ' A' ' 117' ' ' GLY . 3.2 m80 -133.03 105.83 7.3 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.384 -0.823 . . . . 0.0 109.463 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.66 ' H ' HD12 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -120.35 134.85 55.19 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.316 -0.865 . . . . 0.0 109.329 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.625 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -117.1 155.63 28.98 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.217 -0.927 . . . . 0.0 109.8 -179.767 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -122.99 172.5 8.46 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.439 -0.788 . . . . 0.0 109.33 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -113.86 -12.13 12.75 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.232 -0.918 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 51.2 t0 -130.89 119.87 22.8 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.293 -0.879 . . . . 0.0 109.324 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.651 ' CE2' ' OD1' ' A' ' 51' ' ' ASP . 20.7 p90 -49.3 -26.61 3.18 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.241 -0.912 . . . . 0.0 109.471 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.651 ' OD1' ' CE2' ' A' ' 50' ' ' PHE . 67.6 m-20 -67.81 -71.31 0.21 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.303 -0.873 . . . . 0.0 109.525 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.42 ' HZ2' ' HB2' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -53.82 -26.8 25.96 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.193 -0.942 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.789 ' C ' HD23 ' A' ' 53' ' ' LEU . 6.2 tt -59.48 -50.46 73.83 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.32 -0.862 . . . . 0.0 109.476 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -65.59 -32.12 73.53 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.215 -0.928 . . . . 0.0 109.713 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.03 -63.2 1.11 Allowed 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.129 -0.982 . . . . 0.0 109.714 -179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.24 -34.93 70.99 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.197 -0.939 . . . . 0.0 109.885 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.99 -39.21 76.03 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.165 -0.959 . . . . 0.0 109.523 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.7 t -67.62 -49.02 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.251 -0.906 . . . . 0.0 109.589 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -54.67 44.47 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.239 -0.913 . . . . 0.0 109.529 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.56 -36.03 32.63 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.245 -0.909 . . . . 0.0 109.406 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -74.75 -32.88 62.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.29 -0.881 . . . . 0.0 109.307 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -62.33 -40.01 94.93 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.355 -0.841 . . . . 0.0 109.329 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 2.6 mtt -59.54 -51.38 70.08 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.205 -0.934 . . . . 0.0 109.342 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 150.12 34.84 0.04 OUTLIER Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -110.33 141.81 42.83 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.245 -1.15 . . . . 0.0 109.694 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.68 80.64 8.93 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.264 -0.897 . . . . 0.0 109.322 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.416 ' O ' HG13 ' A' ' 67' ' ' VAL . 5.5 p -61.74 127.46 21.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.14 -0.975 . . . . 0.0 109.616 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.647 ' N ' ' O ' ' A' ' 85' ' ' ASP . 5.1 tp -102.57 142.98 32.85 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.303 -0.873 . . . . 0.0 109.253 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 68' ' ' LEU . 2.9 mm-40 -43.65 163.79 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.223 -0.923 . . . . 0.0 109.567 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.5 ' HB1' ' N ' ' A' ' 83' ' ' CYS . . . -112.56 171.18 7.68 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.222 -0.924 . . . . 0.0 109.581 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -128.75 142.72 50.91 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.309 -0.869 . . . . 0.0 109.348 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -52.09 136.31 29.79 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.232 -0.917 . . . . 0.0 109.454 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -122.48 -171.56 2.29 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.318 -0.864 . . . . 0.0 109.493 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 178.45 145.47 0.13 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.284 -0.885 . . . . 0.0 109.352 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -96.63 -15.24 21.63 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.184 -0.948 . . . . 0.0 109.691 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -167.98 37.48 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.186 -0.946 . . . . 0.0 109.473 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 t70 60.13 28.56 18.13 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.258 -0.902 . . . . 0.0 109.376 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -132.46 -7.54 2.75 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.885 -1.286 . . . . 0.0 109.885 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -131.55 157.62 43.1 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.194 -1.18 . . . . 0.0 109.541 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -129.49 99.87 5.34 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.225 -0.922 . . . . 0.0 109.511 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 mt -106.47 174.9 5.69 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.349 -0.844 . . . . 0.0 109.517 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 mp -128.4 136.39 50.83 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.326 -0.859 . . . . 0.0 109.242 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.5 ' N ' ' HB1' ' A' ' 70' ' ' ALA . 16.1 m -124.73 100.1 6.47 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.216 -0.928 . . . . 0.0 109.942 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.547 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 2.2 p90 -90.78 143.5 26.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.171 -0.956 . . . . 0.0 108.743 179.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.647 ' O ' ' N ' ' A' ' 68' ' ' LEU . 0.8 OUTLIER -103.04 161.97 13.33 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.131 -0.98 . . . . 0.0 110.044 -179.363 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -137.06 138.03 39.97 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.377 -0.827 . . . . 0.0 109.063 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.25 137.0 53.33 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.204 -0.935 . . . . 0.0 109.654 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.1 tpt -139.6 121.11 15.12 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.288 -0.882 . . . . 0.0 109.454 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -81.61 120.63 25.32 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.263 -0.898 . . . . 0.0 109.412 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.59 178.45 8.28 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.299 -0.876 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -91.4 142.44 27.68 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.135 -0.978 . . . . 0.0 109.42 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.577 HD13 ' CE2' ' A' ' 39' ' ' TYR . 9.6 tp -55.3 103.16 0.08 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.326 -0.859 . . . . 0.0 109.629 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -156.2 126.05 6.42 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.179 -0.951 . . . . 0.0 109.562 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.36 -40.5 94.52 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.279 -0.888 . . . . 0.0 109.304 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -62.31 -56.41 18.71 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.274 -0.891 . . . . 0.0 109.192 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.7 mp -51.71 -43.74 62.93 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.242 -0.911 . . . . 0.0 109.008 179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.488 ' O ' HG23 ' A' ' 101' ' ' VAL . 36.8 mt -64.58 -28.94 45.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.334 -0.854 . . . . 0.0 109.239 179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -68.12 -52.84 30.31 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.34 -0.85 . . . . 0.0 109.573 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -59.65 -48.61 80.99 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.172 -0.955 . . . . 0.0 109.342 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -51.82 -52.64 47.73 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.298 -0.876 . . . . 0.0 109.435 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 97' ' ' ILE . 90.2 t -62.18 -59.29 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.236 -0.915 . . . . 0.0 109.629 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 101' ' ' VAL . 27.5 tt0 -44.18 -32.24 1.19 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.33 -0.856 . . . . 0.0 109.771 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -69.53 -49.53 53.62 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.275 -0.891 . . . . 0.0 109.519 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.444 HD22 HD21 ' A' ' 45' ' ' LEU . 23.2 mt -67.99 -25.15 65.27 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.29 -0.881 . . . . 0.0 109.452 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 101' ' ' VAL . 59.7 t -71.52 -54.52 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.235 -0.916 . . . . 0.0 109.386 179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -59.0 -47.91 83.5 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.293 -0.879 . . . . 0.0 109.371 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.489 HD23 ' N ' ' A' ' 108' ' ' ALA . 1.5 tt -61.75 -45.75 92.58 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.301 -0.874 . . . . 0.0 109.535 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.489 ' N ' HD23 ' A' ' 107' ' ' LEU . . . -47.15 -57.44 5.12 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.15 -0.969 . . . . 0.0 109.481 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.661 ' N ' ' OE1' ' A' ' 109' ' ' GLU . 1.0 OUTLIER -66.93 -20.31 65.88 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.251 -0.906 . . . . 0.0 109.498 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -68.69 -30.69 69.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.169 -0.957 . . . . 0.0 109.494 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.543 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 10.4 m-85 -102.58 -75.52 0.6 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.193 -0.942 . . . . 0.0 109.544 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.543 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 1.9 m-20 162.25 45.89 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.28 -0.888 . . . . 0.0 109.47 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 18.2 pt -127.0 151.63 34.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.115 -0.99 . . . . 0.0 109.386 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.448 HG23 ' CD2' ' A' ' 46' ' ' PHE . 0.5 OUTLIER -98.01 110.17 25.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.308 -0.87 . . . . 0.0 109.609 -179.863 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.403 ' N ' HD12 ' A' ' 114' ' ' ILE . 15.5 t80 -89.73 127.62 35.97 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.246 -0.909 . . . . 0.0 109.338 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.466 ' CG ' ' O ' ' A' ' 116' ' ' ASP . 0.7 OUTLIER -178.12 81.16 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.127 -0.983 . . . . 0.0 109.488 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.551 ' O ' ' ND1' ' A' ' 44' ' ' HIS . . . 163.13 83.03 0.05 OUTLIER Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.464 ' O ' ' CG ' ' A' ' 118' ' ' TRP . 5.2 p-90 -121.35 132.23 54.65 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.266 -1.137 . . . . 0.0 109.281 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -139.48 165.1 25.87 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.738 -1.345 . . . . 0.0 109.738 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.09 150.83 48.27 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.334 -1.097 . . . . 0.0 109.363 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -113.53 134.29 54.77 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.239 -0.913 . . . . 0.0 109.469 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.433 ' O ' ' N ' ' A' ' 124' ' ' GLY . 21.6 t80 -73.95 107.44 6.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.346 -0.846 . . . . 0.0 109.394 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -47.58 97.73 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.304 -0.872 . . . . 0.0 109.536 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.569 ' O ' ' O ' ' A' ' 125' ' ' LEU . . . -160.03 -65.04 0.01 OUTLIER Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.569 ' O ' ' O ' ' A' ' 124' ' ' GLY . 0.5 OUTLIER 45.91 102.86 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.186 -1.185 . . . . 0.0 109.612 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.13 -154.55 0.45 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.267 -0.896 . . . . 0.0 109.489 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -91.7 93.09 8.73 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.303 -0.873 . . . . 0.0 109.506 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.485 ' O ' ' CG ' ' A' ' 129' ' ' HIS . 1.8 t-80 -168.56 161.17 11.41 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.358 -0.839 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.485 ' CG ' ' O ' ' A' ' 128' ' ' HIS . 1.8 m-70 177.31 -30.38 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.112 -0.993 . . . . 0.0 109.737 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' ' 131' ' ' HIS . 18.6 p-80 -156.29 106.4 2.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.197 -0.94 . . . . 0.0 109.465 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 130' ' ' HIS . 33.1 m170 43.09 -104.57 0.06 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.206 -0.934 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 1.7 m80 . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 118.033 -0.984 . . . . 0.0 109.417 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.519 ' O ' ' C ' ' A' ' 3' ' ' HIS . 0.8 OUTLIER -148.65 148.28 29.91 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.223 -0.923 . . . . 0.0 109.544 -179.913 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.519 ' C ' ' O ' ' A' ' 2' ' ' SER . 7.7 m-70 -36.35 115.05 0.33 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.232 -0.917 . . . . 0.0 109.57 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -125.85 -122.74 0.25 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.259 -0.901 . . . . 0.0 109.449 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -109.18 -129.94 0.29 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.244 -0.91 . . . . 0.0 109.476 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -159.76 109.74 1.87 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.158 -0.964 . . . . 0.0 109.694 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -101.57 -176.47 3.15 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.251 -0.906 . . . . 0.0 109.377 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.583 ' O ' ' CB ' ' A' ' 9' ' ' SER . 0.5 OUTLIER -111.84 -76.09 0.6 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.199 -0.938 . . . . 0.0 109.218 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.583 ' CB ' ' O ' ' A' ' 8' ' ' LEU . 0.8 OUTLIER 80.35 -59.6 0.3 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.23 -0.919 . . . . 0.0 109.588 179.8 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 6.9 m -52.55 -26.79 10.46 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.188 -0.945 . . . . 0.0 109.632 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 12' ' ' GLU . 1.0 OUTLIER -70.0 -65.06 0.77 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.268 -0.895 . . . . 0.0 109.354 179.932 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.532 ' CD ' ' H ' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -44.03 -57.58 3.28 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.233 -0.917 . . . . 0.0 109.359 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 14' ' ' ILE . 62.7 mt -50.95 -60.44 3.08 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.224 -0.923 . . . . 0.0 109.415 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 13' ' ' LEU . 49.7 mt -45.3 -47.66 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.275 -0.89 . . . . 0.0 109.541 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.16 -51.0 65.71 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.261 -0.9 . . . . 0.0 109.292 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 83.4 mt -62.29 -24.34 34.66 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.232 -0.917 . . . . 0.0 109.177 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -73.75 -40.39 63.53 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.343 -0.848 . . . . 0.0 109.158 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -63.81 -33.72 76.3 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.141 -0.974 . . . . 0.0 109.101 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 20' ' ' GLU . 20.6 mt-10 -72.89 -68.87 0.45 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.338 -0.851 . . . . 0.0 109.3 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 19' ' ' GLU . 1.2 tt0 -39.51 -65.39 0.39 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.25 -0.906 . . . . 0.0 109.345 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.519 ' O ' ' C ' ' A' ' 22' ' ' ARG . 2.7 m -44.07 -68.23 0.21 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.288 -0.882 . . . . 0.0 109.33 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.538 ' CG ' HH11 ' A' ' 22' ' ' ARG . 0.0 OUTLIER -37.53 -43.19 0.58 Allowed 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.348 -0.845 . . . . 0.0 109.267 179.748 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.35 -46.7 87.5 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.222 -0.924 . . . . 0.0 109.59 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.486 ' O ' ' C ' ' A' ' 25' ' ' ILE . 74.7 mt -66.65 -59.4 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 O-C-N 121.3 -0.875 . . . . 0.0 109.271 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.486 ' C ' ' O ' ' A' ' 24' ' ' ILE . 9.0 mm -39.78 -47.24 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.214 -0.929 . . . . 0.0 109.285 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -57.92 -45.75 86.05 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.303 -0.873 . . . . 0.0 109.551 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 24' ' ' ILE . . . -61.63 -43.56 98.63 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.255 -0.903 . . . . 0.0 109.661 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.5 mt -65.67 -63.9 0.99 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.191 -0.943 . . . . 0.0 109.62 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 30' ' ' GLU . 1.6 mp -50.09 -62.38 1.61 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.163 -0.961 . . . . 0.0 109.351 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.526 ' C ' ' OE1' ' A' ' 30' ' ' GLU . 0.7 OUTLIER -41.99 -50.33 4.6 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.186 -0.946 . . . . 0.0 109.334 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.416 ' N ' ' OE1' ' A' ' 30' ' ' GLU . 8.6 t70 -52.69 -43.52 65.66 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.241 -0.912 . . . . 0.0 109.505 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.51 ' O ' ' C ' ' A' ' 33' ' ' SER . . . 134.87 6.55 2.23 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.854 -1.299 . . . . 0.0 109.854 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.51 ' C ' ' O ' ' A' ' 32' ' ' GLY . 65.0 p -38.3 157.02 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.068 -1.254 . . . . 0.0 109.367 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -122.05 91.77 48.9 Favored Pre-proline 0 N--CA 1.491 1.59 0 O-C-N 121.218 -0.926 . . . . 0.0 109.446 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo -61.5 2.82 0.44 Allowed 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.954 2.436 . . . . 0.0 112.25 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -86.06 -19.4 30.31 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.19 -0.944 . . . . 0.0 109.693 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.574 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -95.98 25.05 5.01 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.166 -0.959 . . . . 0.0 109.619 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.574 ' O ' ' O ' ' A' ' 37' ' ' ALA . 3.4 mt 56.59 146.08 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.148 -0.97 . . . . 0.0 109.409 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.405 ' CD1' HD12 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -117.92 167.96 10.95 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.255 -0.903 . . . . 0.0 109.462 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -121.92 135.19 54.86 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.237 -0.915 . . . . 0.0 109.505 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.463 HD12 ' N ' ' A' ' 41' ' ' ILE . 5.2 mp -128.89 151.46 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.288 -0.882 . . . . 0.0 109.4 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.93 150.3 52.19 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.213 -0.929 . . . . 0.0 109.742 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -125.32 153.52 43.17 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.282 -0.886 . . . . 0.0 109.241 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -118.25 110.17 17.22 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.186 -0.946 . . . . 0.0 109.805 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.644 ' N ' HD12 ' A' ' 45' ' ' LEU . 4.0 mp -124.13 130.81 53.18 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.246 -0.909 . . . . 0.0 109.209 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.717 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -118.8 163.06 17.44 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.102 -0.998 . . . . 0.0 109.899 -179.78 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.575 ' HB2' HG22 ' A' ' 113' ' ' ILE . . . -142.07 177.67 8.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.374 -0.829 . . . . 0.0 109.212 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.704 ' CD ' ' H ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -121.79 -4.73 9.16 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.256 -0.902 . . . . 0.0 109.561 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.533 ' O ' ' C ' ' A' ' 50' ' ' PHE . 0.4 OUTLIER -125.09 107.42 10.77 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.196 -0.94 . . . . 0.0 109.548 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.533 ' C ' ' O ' ' A' ' 49' ' ' ASP . 89.2 t80 -36.6 -45.63 0.53 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.208 -0.932 . . . . 0.0 109.365 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.561 ' CG ' ' NZ ' ' A' ' 55' ' ' LYS . 14.9 t0 -61.79 -69.01 0.27 Allowed 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.235 -0.916 . . . . 0.0 109.234 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 51' ' ' ASP . 3.0 tppt? -40.7 -32.24 0.2 Allowed 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.264 -0.897 . . . . 0.0 109.229 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.603 ' C ' HD23 ' A' ' 53' ' ' LEU . 6.5 tt -66.99 -51.11 59.19 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.27 -0.893 . . . . 0.0 109.382 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.595 ' O ' HG23 ' A' ' 58' ' ' VAL . 12.3 mt-10 -60.93 -40.97 95.24 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.233 -0.917 . . . . 0.0 109.572 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.561 ' NZ ' ' CG ' ' A' ' 51' ' ' ASP . 47.5 mttp -54.85 -63.85 1.02 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.284 -0.885 . . . . 0.0 109.677 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.66 -45.41 85.56 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.267 -0.896 . . . . 0.0 109.566 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.94 -64.24 0.88 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.315 -0.866 . . . . 0.0 109.62 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 54' ' ' GLU . 62.1 t -44.73 -44.21 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.199 -0.938 . . . . 0.0 109.452 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.79 -43.65 85.76 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.231 -0.918 . . . . 0.0 109.332 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.57 -45.2 84.22 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.288 -0.882 . . . . 0.0 109.438 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.579 ' O ' ' CD1' ' A' ' 61' ' ' PHE . 5.2 t80 -66.7 -19.64 65.8 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.24 -0.912 . . . . 0.0 109.529 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.5 tttm -77.79 -38.34 46.86 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.196 -0.94 . . . . 0.0 109.375 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 17.8 mtm -68.46 -49.98 55.86 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.261 -0.9 . . . . 0.0 109.483 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 158.19 -16.14 0.29 Allowed Glycine 0 N--CA 1.49 2.29 0 N-CA-C 109.706 -1.358 . . . . 0.0 109.706 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.491 ' CE2' ' SD ' ' A' ' 88' ' ' MET . 57.1 m-85 -64.95 131.47 46.72 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.295 -1.121 . . . . 0.0 109.692 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -86.07 102.17 13.6 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.288 -0.882 . . . . 0.0 109.167 179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 9.5 p -63.31 139.71 20.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.2 -0.937 . . . . 0.0 109.796 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.67 ' N ' ' O ' ' A' ' 85' ' ' ASP . 4.9 mp -111.95 138.74 48.16 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.415 -0.803 . . . . 0.0 109.081 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 68' ' ' LEU . 2.6 mm-40 -41.23 146.95 0.16 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.248 -0.907 . . . . 0.0 109.896 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.73 -179.92 5.03 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.41 -0.806 . . . . 0.0 109.391 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.505 ' O ' ' C ' ' A' ' 72' ' ' GLU . 0.9 OUTLIER -145.16 107.08 4.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.247 -0.908 . . . . 0.0 109.296 179.879 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.602 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -37.91 114.25 0.34 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.237 -0.915 . . . . 0.0 109.189 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.615 ' OG1' ' N ' ' A' ' 74' ' ' GLU . 1.1 t -133.28 -159.68 0.99 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.203 -0.935 . . . . 0.0 109.413 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.615 ' N ' ' OG1' ' A' ' 73' ' ' THR . 0.6 OUTLIER -147.54 163.66 35.88 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.242 -0.911 . . . . 0.0 109.442 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.403 ' O ' ' CB ' ' A' ' 76' ' ' GLU . 0.8 OUTLIER -133.72 28.07 3.94 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.333 -0.854 . . . . 0.0 109.133 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.403 ' CB ' ' O ' ' A' ' 75' ' ' ASP . 1.2 tt0 69.51 0.96 3.14 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.387 -0.821 . . . . 0.0 109.273 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 78' ' ' GLY . 58.6 p30 -150.4 -11.43 0.25 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.377 -0.827 . . . . 0.0 109.356 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.647 ' O ' ' N ' ' A' ' 80' ' ' LYS . . . -100.7 -24.89 8.93 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 60.33 -64.72 0.05 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.367 -1.078 . . . . 0.0 109.681 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.647 ' N ' ' O ' ' A' ' 78' ' ' GLY . 5.0 tttp -134.21 106.11 6.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.2 -0.937 . . . . 0.0 109.742 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.552 ' C ' HD12 ' A' ' 82' ' ' LEU . 3.3 pp -141.53 173.06 11.86 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.325 -0.86 . . . . 0.0 109.284 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.644 ' N ' HD12 ' A' ' 82' ' ' LEU . 7.1 mp -112.99 136.83 52.24 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.211 -0.93 . . . . 0.0 109.411 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.568 ' SG ' ' O ' ' A' ' 83' ' ' CYS . 30.5 p -126.7 102.27 6.99 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.277 -0.889 . . . . 0.0 109.626 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.483 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 6.7 p90 -94.69 149.14 21.55 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.222 -0.924 . . . . 0.0 109.194 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.67 ' O ' ' N ' ' A' ' 68' ' ' LEU . 3.3 t70 -113.27 147.21 38.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.16 -0.963 . . . . 0.0 109.99 -179.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.423 ' HB1' ' HB3' ' A' ' 65' ' ' PHE . . . -126.38 142.9 51.36 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.269 -0.894 . . . . 0.0 109.101 179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.2 166.63 12.03 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.191 -0.943 . . . . 0.0 109.881 -179.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.491 ' SD ' ' CE2' ' A' ' 65' ' ' PHE . 14.6 ttm -167.23 135.1 2.5 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.322 -0.861 . . . . 0.0 109.208 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.58 146.52 23.6 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.156 -0.965 . . . . 0.0 109.729 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 90.7 p -154.38 -178.16 6.95 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.324 -0.86 . . . . 0.0 109.259 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.539 ' O ' ' C ' ' A' ' 92' ' ' LEU . . . -99.28 43.48 1.06 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.215 -0.928 . . . . 0.0 109.672 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.539 ' C ' ' O ' ' A' ' 91' ' ' ALA . 0.6 OUTLIER 36.11 93.2 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.278 -0.889 . . . . 0.0 109.496 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.499 ' O ' ' C ' ' A' ' 94' ' ' ALA . 0.4 OUTLIER -160.29 110.5 1.82 Allowed 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.314 -0.866 . . . . 0.0 109.406 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.527 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -38.49 -68.42 0.16 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.203 -0.935 . . . . 0.0 109.492 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.527 ' C ' ' O ' ' A' ' 94' ' ' ALA . 41.1 tttp -34.26 -43.87 0.17 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.307 -0.87 . . . . 0.0 109.757 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.4 mp -69.9 -58.02 4.36 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.17 -0.956 . . . . 0.0 109.609 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 30.1 mt -49.45 -24.51 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.239 -0.913 . . . . 0.0 109.515 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.93 -57.57 3.88 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.275 -0.891 . . . . 0.0 109.614 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -55.87 -40.06 72.4 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.219 -0.926 . . . . 0.0 109.679 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.551 ' N ' ' OE1' ' A' ' 100' ' ' GLN . 2.1 mp0 -68.08 -53.23 27.06 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.203 -0.936 . . . . 0.0 109.711 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.529 HG13 ' CE2' ' A' ' 115' ' ' TYR . 10.2 t -57.83 -33.48 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 121.192 -0.942 . . . . 0.0 109.578 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -66.35 -39.26 89.07 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.245 -0.909 . . . . 0.0 109.513 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 28.3 mttt -60.79 -51.68 68.3 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.271 -0.893 . . . . 0.0 109.401 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 17.1 mt -61.28 -25.06 66.84 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.237 -0.915 . . . . 0.0 109.421 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 106' ' ' ASN . 3.1 t -72.94 -61.8 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.248 -0.907 . . . . 0.0 109.508 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.421 ' N ' HG12 ' A' ' 105' ' ' VAL . 11.6 m-20 -55.2 -42.18 72.95 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.212 -0.93 . . . . 0.0 109.576 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 6.7 tp -66.33 -52.21 49.48 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.293 -0.88 . . . . 0.0 109.425 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.432 ' HB1' HG13 ' A' ' 113' ' ' ILE . . . -47.54 -56.36 7.27 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.328 -0.857 . . . . 0.0 110.137 -179.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -66.64 -40.6 88.79 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.159 -0.963 . . . . 0.0 110.06 -179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -50.35 -28.48 8.05 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.189 -0.944 . . . . 0.0 109.919 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.5 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 9.0 m-85 -100.03 -74.73 0.59 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.092 -1.005 . . . . 0.0 109.519 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.9 OUTLIER 165.08 34.34 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.263 -0.898 . . . . 0.0 109.232 -179.797 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.575 HG22 ' HB2' ' A' ' 47' ' ' ALA . 30.7 pt -124.48 156.76 32.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.365 -0.834 . . . . 0.0 109.37 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.455 HG23 ' CE2' ' A' ' 46' ' ' PHE . 0.3 OUTLIER -106.07 144.07 16.03 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.21 -0.931 . . . . 0.0 109.751 -179.658 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.671 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 2.0 t80 -120.04 90.23 3.29 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.333 -0.854 . . . . 0.0 109.144 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -136.57 78.9 1.73 Allowed 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.185 -0.947 . . . . 0.0 109.492 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 167.02 79.79 0.04 OUTLIER Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.353 -1.499 . . . . 0.0 109.353 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.414 ' CD2' ' C ' ' A' ' 118' ' ' TRP . 3.3 p-90 -118.68 140.25 50.22 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.241 -1.152 . . . . 0.0 109.409 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -154.81 169.93 33.04 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.69 138.71 46.0 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.284 -1.127 . . . . 0.0 109.344 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -66.6 136.2 55.25 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.209 -0.932 . . . . 0.0 109.611 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -87.23 125.85 34.45 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.324 -0.86 . . . . 0.0 109.38 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -82.42 96.46 7.99 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.163 -0.961 . . . . 0.0 109.448 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 166.4 -76.02 0.14 Allowed Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.501 -1.439 . . . . 0.0 109.501 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.589 ' O ' ' O ' ' A' ' 126' ' ' GLU . 0.8 OUTLIER 48.29 78.2 0.09 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.244 -1.15 . . . . 0.0 109.567 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.589 ' O ' ' O ' ' A' ' 125' ' ' LEU . 2.0 mm-40 44.68 103.89 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.316 -0.865 . . . . 0.0 109.79 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.662 ' ND1' ' O ' ' A' ' 127' ' ' HIS . 5.3 t-80 -122.53 77.3 1.41 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.129 -0.982 . . . . 0.0 109.394 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -80.76 -78.82 0.17 Allowed 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.233 -0.917 . . . . 0.0 109.603 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -176.87 22.68 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.259 -0.901 . . . . 0.0 109.507 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -128.3 0.13 5.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.319 -0.863 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.441 ' O ' ' CG ' ' A' ' 132' ' ' HIS . 42.8 t60 -71.09 145.28 49.95 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.298 -0.876 . . . . 0.0 109.388 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . 0.441 ' CG ' ' O ' ' A' ' 131' ' ' HIS . 7.2 m-70 . . . . . 0 N--CA 1.489 1.509 0 CA-C-O 117.989 -1.005 . . . . 0.0 109.586 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.2 mtt . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 3' ' ' HIS . 62.8 p -106.16 54.65 0.68 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.228 -0.92 . . . . 0.0 109.663 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.531 ' O ' ' N ' ' A' ' 5' ' ' ASP . 18.2 t60 43.95 73.8 0.14 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.187 -0.945 . . . . 0.0 109.508 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.418 ' C ' ' H ' ' A' ' 6' ' ' ASP . 57.0 mt-30 -61.61 76.13 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.202 -0.936 . . . . 0.0 109.428 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 3' ' ' HIS . 0.6 OUTLIER -73.18 42.54 0.12 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.168 -0.957 . . . . 0.0 109.507 -179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.534 ' O ' ' C ' ' A' ' 7' ' ' TYR . 7.6 t0 -155.79 -27.67 0.1 Allowed 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.22 -0.925 . . . . 0.0 109.456 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.534 ' C ' ' O ' ' A' ' 6' ' ' ASP . 6.8 m-85 36.1 67.7 0.29 Allowed 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.24 -0.913 . . . . 0.0 109.481 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 tp -134.95 78.16 1.72 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.302 -0.874 . . . . 0.0 109.476 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.32 -66.94 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.315 -0.866 . . . . 0.0 109.292 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 26.9 m -51.31 -24.7 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.252 -0.905 . . . . 0.0 109.288 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -74.67 -29.44 61.23 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.308 -0.87 . . . . 0.0 109.318 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.438 ' H ' ' HG2' ' A' ' 12' ' ' GLU . 24.1 mm-40 -71.53 -55.41 7.88 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.353 -0.842 . . . . 0.0 109.351 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.408 ' H ' ' HG ' ' A' ' 13' ' ' LEU . 31.2 mt -49.83 -52.44 32.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.308 -0.87 . . . . 0.0 109.241 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.41 -37.27 50.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.499 0 O-C-N 121.334 -0.854 . . . . 0.0 109.502 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.51 -57.21 7.8 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.371 -0.83 . . . . 0.0 109.756 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 67.9 mt -47.77 -54.43 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.28 -0.888 . . . . 0.0 109.681 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.422 ' O ' ' OG1' ' A' ' 21' ' ' THR . 1.0 OUTLIER -65.63 -18.4 65.29 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.178 -0.951 . . . . 0.0 109.693 -179.706 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.2 ttmt -66.41 -45.58 79.47 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.132 -0.98 . . . . 0.0 109.184 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -74.02 -55.1 6.54 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.383 -0.823 . . . . 0.0 109.508 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -53.87 -46.02 71.19 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.216 -0.928 . . . . 0.0 109.656 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 17' ' ' GLN . 37.7 m -55.39 -50.74 68.95 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.224 -0.922 . . . . 0.0 109.548 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.713 ' CG ' HH11 ' A' ' 22' ' ' ARG . 0.0 OUTLIER -53.19 -43.87 67.51 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.213 -0.929 . . . . 0.0 109.614 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -59.16 -47.95 83.41 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.217 -0.927 . . . . 0.0 109.682 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 95.0 mt -58.32 -67.13 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.23 -0.919 . . . . 0.0 109.608 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.475 HD12 ' N ' ' A' ' 25' ' ' ILE . 1.4 mp -46.08 -44.11 5.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.159 -0.963 . . . . 0.0 109.493 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.565 ' O ' ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -50.9 -65.94 0.47 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.284 -0.885 . . . . 0.0 109.478 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 26' ' ' GLN . . . -39.0 -45.11 1.16 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.257 -0.902 . . . . 0.0 109.549 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.8 mt -64.94 -31.81 73.22 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.27 -0.894 . . . . 0.0 109.726 -179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.565 ' N ' ' O ' ' A' ' 26' ' ' GLN . 1.5 mp -71.04 -54.78 9.96 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.106 -0.996 . . . . 0.0 109.466 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -60.15 -18.95 51.35 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.206 -0.933 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -80.56 -30.37 37.01 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.272 -0.893 . . . . 0.0 109.506 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 127.14 16.56 2.35 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.536 -1.426 . . . . 0.0 109.536 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.439 ' HG ' ' HH ' ' A' ' 39' ' ' TYR . 38.4 t -66.93 131.06 45.11 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.22 -1.165 . . . . 0.0 109.448 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -103.19 146.23 32.06 Favored Pre-proline 0 N--CA 1.49 1.564 0 O-C-N 121.366 -0.833 . . . . 0.0 109.393 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -71.63 -11.15 27.72 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.788 2.325 . . . . 0.0 112.316 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.42 ' C ' ' OD1' ' A' ' 36' ' ' ASP . 56.5 p30 -100.82 1.67 40.37 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.193 -0.942 . . . . 0.0 109.554 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.482 ' O ' ' CB ' ' A' ' 38' ' ' LEU . . . -80.71 -25.04 38.38 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.266 -0.896 . . . . 0.0 109.464 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.482 ' CB ' ' O ' ' A' ' 37' ' ' ALA . 1.2 tp 73.98 140.9 0.06 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.189 -0.945 . . . . 0.0 109.202 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.456 ' CD1' ' HB2' ' A' ' 92' ' ' LEU . 10.4 m-85 -127.12 164.85 20.69 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.273 -0.892 . . . . 0.0 109.753 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -111.31 101.2 9.69 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.292 -0.88 . . . . 0.0 109.312 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.438 ' N ' HD13 ' A' ' 41' ' ' ILE . 7.9 mm -74.85 131.12 35.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.267 -0.895 . . . . 0.0 109.584 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 119' ' ' GLY . 9.0 pt-20 -123.0 118.25 27.35 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.247 -0.908 . . . . 0.0 109.529 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.48 ' CD2' ' CD1' ' A' ' 104' ' ' LEU . 87.8 m-70 -103.55 155.51 18.48 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.256 -0.902 . . . . 0.0 109.48 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.489 ' CD2' ' SG ' ' A' ' 83' ' ' CYS . 0.0 OUTLIER -133.25 104.88 6.68 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.243 -0.91 . . . . 0.0 109.549 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.9 mp -115.65 152.15 33.68 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.294 -0.878 . . . . 0.0 109.237 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.693 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.1 OUTLIER -133.8 163.82 28.63 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.09 -1.006 . . . . 0.0 109.845 -179.716 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.566 ' HB2' HG22 ' A' ' 113' ' ' ILE . . . -149.13 176.67 10.28 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.372 -0.83 . . . . 0.0 109.284 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -112.69 -28.83 7.65 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.161 -0.962 . . . . 0.0 109.419 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 50' ' ' PHE . 1.2 m-20 -98.66 100.63 11.88 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.261 -0.899 . . . . 0.0 109.535 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.442 ' C ' ' O ' ' A' ' 49' ' ' ASP . 71.2 t80 -41.86 -42.96 2.86 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.182 -0.948 . . . . 0.0 109.452 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -55.34 -60.32 3.57 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.189 -0.944 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.36 -21.86 38.52 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.288 -0.882 . . . . 0.0 109.406 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.462 ' C ' HD23 ' A' ' 53' ' ' LEU . 5.3 tt -69.09 -53.49 20.04 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.228 -0.92 . . . . 0.0 109.495 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.591 ' O ' HG23 ' A' ' 58' ' ' VAL . 1.8 mm-40 -63.1 -23.97 67.69 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.283 -0.885 . . . . 0.0 109.329 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -69.03 -60.8 2.11 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.285 -0.884 . . . . 0.0 109.227 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.23 86.75 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.23 -0.919 . . . . 0.0 109.227 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.5 -48.9 76.19 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.265 -0.897 . . . . 0.0 109.122 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 54' ' ' GLU . 11.0 t -55.14 -46.75 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.241 -0.912 . . . . 0.0 109.227 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.548 ' O ' ' OE1' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -63.39 -34.42 77.7 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.286 -0.884 . . . . 0.0 109.335 179.857 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.498 ' O ' ' C ' ' A' ' 61' ' ' PHE . . . -69.75 -64.82 0.81 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.265 -0.897 . . . . 0.0 109.374 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.498 ' C ' ' O ' ' A' ' 60' ' ' ALA . 62.8 t80 -40.17 -39.43 0.91 Allowed 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.26 -0.9 . . . . 0.0 109.167 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 18.3 ttmt -65.32 -46.76 79.02 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.272 -0.893 . . . . 0.0 109.299 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 60' ' ' ALA . 7.5 tpp -45.75 -42.95 12.58 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.367 -0.833 . . . . 0.0 109.39 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 141.4 8.78 0.7 Allowed Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.755 ' CZ ' ' SD ' ' A' ' 88' ' ' MET . 8.9 m-85 -94.1 164.42 13.07 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.267 -1.137 . . . . 0.0 109.482 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -106.47 94.8 5.34 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.372 -0.83 . . . . 0.0 109.279 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.404 ' O ' HG13 ' A' ' 67' ' ' VAL . 14.1 p -61.58 134.69 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.249 -0.907 . . . . 0.0 109.606 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.656 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.4 OUTLIER -111.54 141.46 45.09 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.302 -0.874 . . . . 0.0 109.36 179.821 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 68' ' ' LEU . 5.9 mm-40 -44.39 158.37 0.05 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.272 -0.893 . . . . 0.0 109.445 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.96 177.67 5.03 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.238 -0.914 . . . . 0.0 109.534 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.597 ' O ' ' N ' ' A' ' 73' ' ' THR . 6.2 tt0 -144.09 106.98 4.47 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.202 -0.936 . . . . 0.0 109.491 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.525 ' C ' ' O ' ' A' ' 71' ' ' GLU . 14.1 mt-10 -36.33 93.81 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.275 -0.891 . . . . 0.0 109.292 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.597 ' N ' ' O ' ' A' ' 71' ' ' GLU . 7.9 t -111.01 -161.33 0.75 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.249 -0.907 . . . . 0.0 109.753 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.57 ' C ' ' H ' ' A' ' 76' ' ' GLU . 12.7 pt-20 -163.5 148.21 10.89 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.256 -0.902 . . . . 0.0 109.428 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.601 ' C ' ' H ' ' A' ' 77' ' ' ASP . 38.5 t0 -68.35 32.3 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.143 -0.973 . . . . 0.0 109.294 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.57 ' H ' ' C ' ' A' ' 74' ' ' GLU . 6.5 tt0 57.02 -2.7 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.336 -0.853 . . . . 0.0 109.294 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.601 ' H ' ' C ' ' A' ' 75' ' ' ASP . 0.4 OUTLIER -89.19 -19.33 25.58 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.306 -0.871 . . . . 0.0 109.412 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.497 ' C ' ' OD1' ' A' ' 79' ' ' ASN . . . 108.81 51.63 0.69 Allowed Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.681 ' N ' ' OD1' ' A' ' 79' ' ' ASN . 0.3 OUTLIER -127.53 -162.81 1.2 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.339 -1.095 . . . . 0.0 109.372 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.36 126.74 11.49 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.281 -0.887 . . . . 0.0 109.411 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -161.45 146.36 13.5 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.257 -0.902 . . . . 0.0 109.599 -179.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.596 ' N ' HD12 ' A' ' 82' ' ' LEU . 7.0 mp -84.69 137.18 33.39 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.289 -0.882 . . . . 0.0 109.29 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.489 ' SG ' ' CD2' ' A' ' 44' ' ' HIS . 23.6 t -129.28 101.25 5.91 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.182 -0.949 . . . . 0.0 109.772 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.535 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 2.5 p90 -91.97 146.14 23.98 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.189 -0.945 . . . . 0.0 108.941 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.656 ' O ' ' N ' ' A' ' 68' ' ' LEU . 2.6 t70 -106.67 156.52 18.53 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.26 -0.9 . . . . 0.0 110.112 -179.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -127.4 152.65 47.24 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.31 147.0 51.98 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.048 -1.033 . . . . 0.0 109.967 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.755 ' SD ' ' CZ ' ' A' ' 65' ' ' PHE . 3.4 ttt -154.79 104.81 2.54 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.411 -0.806 . . . . 0.0 109.306 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.03 113.14 7.76 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.268 -0.895 . . . . 0.0 109.488 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 24.4 p -141.82 -179.45 6.2 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.203 -0.936 . . . . 0.0 109.455 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.39 -175.11 0.76 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.236 -0.915 . . . . 0.0 109.542 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.456 ' HB2' ' CD1' ' A' ' 39' ' ' TYR . 40.7 tp -113.45 102.38 10.26 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.301 -0.875 . . . . 0.0 109.4 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -160.85 143.07 12.51 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.256 -0.903 . . . . 0.0 109.513 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.9 -50.31 50.71 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.306 -0.871 . . . . 0.0 109.517 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.43 ' O ' ' OE2' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -52.37 -51.05 61.02 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.247 -0.908 . . . . 0.0 109.35 179.848 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.61 -35.6 76.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.316 -0.865 . . . . 0.0 109.316 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 16.5 mt -71.67 -21.14 21.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.373 -0.829 . . . . 0.0 109.531 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -77.53 -37.24 51.3 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.261 -0.899 . . . . 0.0 109.234 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.43 ' OE2' ' O ' ' A' ' 95' ' ' LYS . 0.7 OUTLIER -68.63 -48.36 64.25 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.201 -0.937 . . . . 0.0 109.336 179.805 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.761 HE21 ' N ' ' A' ' 100' ' ' GLN . 0.0 OUTLIER -61.13 -51.78 67.63 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.263 -0.898 . . . . 0.0 109.026 179.717 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.663 HG13 ' CZ ' ' A' ' 115' ' ' TYR . 78.7 t -60.89 -27.63 41.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.358 -0.839 . . . . 0.0 109.185 179.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 68.1 tt0 -64.11 -42.8 96.73 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.286 -0.884 . . . . 0.0 109.157 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -63.07 -45.05 93.99 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.288 -0.882 . . . . 0.0 109.046 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.48 ' CD1' ' CD2' ' A' ' 43' ' ' HIS . 38.9 mt -65.64 -28.36 69.05 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.343 -0.848 . . . . 0.0 109.487 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.9 t -71.92 -57.31 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.264 -0.898 . . . . 0.0 109.588 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -61.93 -51.46 68.02 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.324 -0.86 . . . . 0.0 109.944 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.84 -46.27 74.6 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.152 -0.968 . . . . 0.0 109.761 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.46 ' HB1' HG13 ' A' ' 113' ' ' ILE . . . -59.79 -51.04 71.44 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.203 -0.936 . . . . 0.0 109.91 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -64.63 -22.63 67.02 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.155 -0.966 . . . . 0.0 109.731 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -78.71 -24.42 44.95 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.13 -0.981 . . . . 0.0 109.395 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.587 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 7.0 m-85 -95.19 -72.72 0.61 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.281 -0.887 . . . . 0.0 109.32 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.587 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 1.2 m-20 158.99 34.04 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.326 -0.858 . . . . 0.0 109.479 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.566 HG22 ' HB2' ' A' ' 47' ' ' ALA . 2.1 pt -125.08 168.85 17.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.211 -0.931 . . . . 0.0 109.247 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 1.2 tt -111.58 151.37 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.149 -0.97 . . . . 0.0 109.588 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.663 ' CZ ' HG13 ' A' ' 101' ' ' VAL . 14.3 t80 -116.98 96.05 5.28 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.292 -0.88 . . . . 0.0 109.345 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -150.7 87.14 1.41 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.209 -0.932 . . . . 0.0 109.578 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 156.44 70.11 0.01 OUTLIER Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.635 -1.386 . . . . 0.0 109.635 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 7.7 p-90 -116.12 159.8 21.24 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.223 -1.163 . . . . 0.0 109.536 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.43 ' O ' ' CG ' ' A' ' 42' ' ' GLU . . . -167.81 169.95 41.56 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 5.0 t -136.64 138.53 41.24 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.238 -1.154 . . . . 0.0 109.41 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -89.75 149.03 22.91 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.29 -0.881 . . . . 0.0 109.675 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.678 ' CD2' ' O ' ' A' ' 123' ' ' GLU . 44.8 t80 -110.06 165.43 11.74 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.217 -0.927 . . . . 0.0 109.486 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.678 ' O ' ' CD2' ' A' ' 122' ' ' TYR . 21.0 mt-10 -77.62 -173.25 2.9 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.27 -0.894 . . . . 0.0 109.497 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 93.74 -163.75 26.1 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.412 -1.475 . . . . 0.0 109.412 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.401 ' O ' ' CB ' ' A' ' 126' ' ' GLU . 10.3 mt 60.49 60.39 1.99 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.108 -1.23 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 125' ' ' LEU . 0.7 OUTLIER 68.72 77.55 0.23 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.313 -0.867 . . . . 0.0 109.14 -179.711 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 28.4 t60 -157.68 91.18 1.13 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.182 -0.949 . . . . 0.0 109.588 -179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.684 ' ND1' ' N ' ' A' ' 128' ' ' HIS . 0.1 OUTLIER -111.34 127.17 55.56 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.186 -0.946 . . . . 0.0 109.477 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.746 ' CG ' ' H ' ' A' ' 130' ' ' HIS . 57.6 t-80 -91.87 -173.35 3.47 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.29 -0.882 . . . . 0.0 109.564 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.746 ' H ' ' CG ' ' A' ' 129' ' ' HIS . 2.6 t60 -59.37 166.17 2.42 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.279 -0.888 . . . . 0.0 109.524 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.69 -84.44 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.229 -0.919 . . . . 0.0 109.418 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 17.1 m170 . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.513 -179.848 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 tpt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.71 -167.61 1.91 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.278 -0.889 . . . . 0.0 109.413 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -139.38 121.03 15.26 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.333 -0.855 . . . . 0.0 109.361 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 47.43 24.52 0.49 Allowed 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.187 -0.946 . . . . 0.0 109.22 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.545 ' O ' ' N ' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -149.23 108.06 3.86 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.267 -0.896 . . . . 0.0 109.342 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.577 ' C ' ' CG ' ' A' ' 7' ' ' TYR . 2.0 m-20 -49.44 89.63 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.243 -0.91 . . . . 0.0 109.729 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.577 ' CG ' ' C ' ' A' ' 6' ' ' ASP . 0.5 OUTLIER 37.76 -163.35 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.245 -0.91 . . . . 0.0 109.646 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mt -135.38 99.64 4.29 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.266 -0.896 . . . . 0.0 109.576 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.564 ' O ' ' N ' ' A' ' 11' ' ' GLU . 1.9 p -167.49 -89.55 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.274 -0.891 . . . . 0.0 109.34 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.604 ' O ' HD12 ' A' ' 14' ' ' ILE . 2.5 m -40.28 -24.57 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.177 -0.952 . . . . 0.0 109.269 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.564 ' N ' ' O ' ' A' ' 9' ' ' SER . 43.9 tt0 -71.88 -53.32 13.56 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.322 -0.861 . . . . 0.0 109.562 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.81 -58.55 6.47 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.271 -0.893 . . . . 0.0 109.723 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.507 ' N ' HD23 ' A' ' 13' ' ' LEU . 6.2 mt -46.68 -46.2 19.9 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.305 -0.872 . . . . 0.0 109.971 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.604 HD12 ' O ' ' A' ' 10' ' ' VAL . 41.3 mt -57.66 -69.26 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.202 -0.936 . . . . 0.0 109.779 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.512 ' OE2' ' O ' ' A' ' 11' ' ' GLU . 0.7 OUTLIER -44.92 -41.54 7.3 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.155 -0.966 . . . . 0.0 109.763 -179.77 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 17.0 mt -61.07 -43.57 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.218 -0.926 . . . . 0.0 109.808 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -73.25 -13.58 61.17 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.192 -0.943 . . . . 0.0 109.738 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' CE ' ' OD2' ' A' ' 98' ' ' ASP . 15.2 mttt -78.7 -42.23 28.92 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.2 -0.938 . . . . 0.0 109.571 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -74.34 -43.47 56.46 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.24 -0.913 . . . . 0.0 109.53 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -60.94 -51.99 66.93 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.238 -0.913 . . . . 0.0 109.571 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.48 ' O ' ' C ' ' A' ' 22' ' ' ARG . 30.9 m -54.93 -59.47 4.69 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.242 -0.912 . . . . 0.0 109.703 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.48 ' C ' ' O ' ' A' ' 21' ' ' THR . 0.5 OUTLIER -39.48 -49.91 2.11 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.243 -0.911 . . . . 0.0 109.61 -179.804 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -55.14 -43.54 74.28 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.2 -0.938 . . . . 0.0 109.723 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 25' ' ' ILE . 62.4 mt -65.02 -63.41 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.309 -0.87 . . . . 0.0 109.786 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.465 ' N ' HD13 ' A' ' 25' ' ' ILE . 5.6 mm -42.52 -50.37 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.199 -0.938 . . . . 0.0 109.703 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -57.68 -56.47 21.47 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.2 -0.937 . . . . 0.0 109.353 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -46.03 -51.25 13.96 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.322 -0.861 . . . . 0.0 109.647 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.575 ' O ' ' N ' ' A' ' 31' ' ' ASP . 7.9 mp -52.25 -61.47 2.25 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.173 -0.955 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 28' ' ' LEU . 2.6 mt -43.13 -49.52 6.36 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.224 -0.923 . . . . 0.0 109.192 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.88 -24.66 58.65 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.273 -0.892 . . . . 0.0 109.131 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.575 ' N ' ' O ' ' A' ' 28' ' ' LEU . 15.0 m-20 -81.25 -13.67 58.26 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.34 -0.85 . . . . 0.0 109.227 179.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.49 ' O ' ' OD1' ' A' ' 34' ' ' ASP . . . 93.34 13.09 56.48 Favored Glycine 0 N--CA 1.49 2.293 0 N-CA-C 109.729 -1.348 . . . . 0.0 109.729 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.2 t -61.98 84.89 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.149 -1.207 . . . . 0.0 109.405 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.49 ' OD1' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -50.14 131.9 23.72 Favored Pre-proline 0 N--CA 1.489 1.517 0 O-C-N 121.232 -0.917 . . . . 0.0 109.406 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -71.38 -4.18 14.45 Favored 'Trans proline' 0 C--N 1.311 -1.436 0 C-N-CA 122.507 2.138 . . . . 0.0 112.073 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -83.97 -5.43 59.22 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.332 -0.855 . . . . 0.0 109.405 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.57 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -91.77 7.96 39.35 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.194 -0.941 . . . . 0.0 109.641 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.57 ' O ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER 54.61 157.06 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.175 -0.953 . . . . 0.0 109.183 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -135.93 141.97 44.56 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.092 -1.005 . . . . 0.0 109.862 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -98.82 116.27 30.68 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.367 -0.833 . . . . 0.0 109.293 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.2 mm -99.4 140.21 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.27 -0.894 . . . . 0.0 109.423 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -126.58 146.17 50.25 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.198 -0.939 . . . . 0.0 109.43 179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.557 ' CD2' ' N ' ' A' ' 43' ' ' HIS . 2.2 m-70 -126.27 147.05 49.77 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.228 -0.92 . . . . 0.0 109.61 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -114.02 125.95 54.57 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.277 -0.89 . . . . 0.0 109.33 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.422 ' HB2' ' CE2' ' A' ' 84' ' ' PHE . 4.3 mp -133.83 136.2 44.28 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.209 -0.932 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.506 ' CD1' ' N ' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -121.11 163.45 18.39 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.18 -0.95 . . . . 0.0 109.828 -179.788 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.82 179.99 7.08 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.43 -0.794 . . . . 0.0 109.447 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -122.38 -29.65 4.09 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.251 -0.906 . . . . 0.0 109.68 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.52 ' O ' ' C ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -107.7 101.17 10.5 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.177 -0.952 . . . . 0.0 109.619 -179.837 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.575 ' CE2' HD11 ' A' ' 82' ' ' LEU . 0.7 OUTLIER -34.61 -42.25 0.14 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.316 -0.865 . . . . 0.0 109.697 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -52.51 -76.12 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.156 -0.965 . . . . 0.0 109.38 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.39 -25.55 0.67 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.19 -0.943 . . . . 0.0 109.366 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.603 ' O ' HD23 ' A' ' 53' ' ' LEU . 3.3 tt -66.6 -55.98 12.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.36 -0.838 . . . . 0.0 109.566 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.542 ' O ' HG23 ' A' ' 58' ' ' VAL . 11.4 tt0 -60.96 -30.91 70.53 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.242 -0.912 . . . . 0.0 109.679 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -67.39 -59.42 3.41 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.136 -0.978 . . . . 0.0 109.587 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.54 -37.23 83.03 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.233 -0.917 . . . . 0.0 109.609 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.61 -48.75 76.03 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.209 -0.932 . . . . 0.0 109.607 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 54' ' ' GLU . 41.0 t -54.45 -49.2 67.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.233 -0.917 . . . . 0.0 109.656 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.535 ' O ' ' C ' ' A' ' 60' ' ' ALA . 2.0 tp10 -57.91 -62.73 1.6 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.22 -0.925 . . . . 0.0 109.623 -179.802 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.535 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . -34.79 -43.85 0.2 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.344 -0.848 . . . . 0.0 109.675 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -68.18 -57.73 5.56 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.146 -0.971 . . . . 0.0 109.533 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 23.5 mtpt -50.63 -20.77 1.3 Allowed 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.236 -0.915 . . . . 0.0 109.584 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 3.7 tpp -74.68 -52.37 11.82 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.087 -1.008 . . . . 0.0 109.445 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 151.19 36.78 0.03 OUTLIER Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.511 -1.435 . . . . 0.0 109.511 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.624 ' CE2' ' SD ' ' A' ' 88' ' ' MET . 10.6 m-85 -124.0 156.58 36.18 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.349 -1.089 . . . . 0.0 109.607 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 67' ' ' VAL . 75.0 mt-10 -96.0 70.69 2.88 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.299 -0.876 . . . . 0.0 109.18 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 66' ' ' GLU . 7.2 p -44.54 156.78 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.316 -0.865 . . . . 0.0 109.707 -179.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.67 ' N ' ' O ' ' A' ' 85' ' ' ASP . 1.3 tp -138.08 136.22 36.57 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.397 -0.814 . . . . 0.0 109.247 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 68' ' ' LEU . 5.6 mt-10 -44.55 162.65 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.157 -0.965 . . . . 0.0 109.611 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.461 ' HB1' ' H ' ' A' ' 83' ' ' CYS . . . -109.93 -179.92 3.93 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.26 -0.9 . . . . 0.0 109.465 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -135.11 -171.58 2.84 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.21 -0.931 . . . . 0.0 109.502 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -104.4 102.44 12.1 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.258 -0.901 . . . . 0.0 109.436 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.459 ' OG1' ' N ' ' A' ' 74' ' ' GLU . 8.0 t -123.17 -154.28 0.6 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.251 -0.905 . . . . 0.0 109.658 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.459 ' N ' ' OG1' ' A' ' 73' ' ' THR . 3.3 tt0 -152.93 135.12 14.91 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.236 -0.915 . . . . 0.0 109.343 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.468 ' C ' ' H ' ' A' ' 77' ' ' ASP . 5.2 t70 -78.93 172.72 13.39 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.237 -0.915 . . . . 0.0 109.519 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -64.58 4.36 0.4 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.236 -0.915 . . . . 0.0 109.415 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.468 ' H ' ' C ' ' A' ' 75' ' ' ASP . 16.2 t70 -96.8 -27.69 14.6 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.281 -0.887 . . . . 0.0 109.571 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 98.52 45.1 2.38 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -134.26 129.84 36.23 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.254 -1.145 . . . . 0.0 109.668 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -68.56 137.03 53.98 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.277 -0.889 . . . . 0.0 109.35 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.493 ' H ' HD12 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -154.93 -163.54 1.59 Allowed 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.196 -0.94 . . . . 0.0 109.581 -179.908 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.575 HD11 ' CE2' ' A' ' 50' ' ' PHE . 2.4 mp -126.62 143.07 51.34 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.249 -0.907 . . . . 0.0 109.74 -179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.461 ' H ' ' HB1' ' A' ' 70' ' ' ALA . 7.8 m -135.36 109.85 8.51 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.412 -0.805 . . . . 0.0 109.67 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.627 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 1.0 OUTLIER -97.43 154.49 17.44 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.269 -0.895 . . . . 0.0 109.231 179.631 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.67 ' O ' ' N ' ' A' ' 68' ' ' LEU . 10.0 t70 -116.85 159.33 22.54 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.189 -0.944 . . . . 0.0 109.765 -179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -137.68 142.94 41.09 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.368 -0.833 . . . . 0.0 109.153 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.47 152.09 35.75 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.188 -0.945 . . . . 0.0 109.726 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.624 ' SD ' ' CE2' ' A' ' 65' ' ' PHE . 7.6 ttt -148.9 140.08 23.13 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.43 -0.794 . . . . 0.0 109.145 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.615 ' CD ' ' N ' ' A' ' 89' ' ' GLN . 0.0 OUTLIER -107.78 116.24 31.59 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.093 -1.004 . . . . 0.0 109.573 -179.862 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.459 ' OG ' HD23 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -150.8 155.76 39.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.25 -0.906 . . . . 0.0 109.284 179.906 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.69 155.81 21.71 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.173 -0.954 . . . . 0.0 109.278 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.6 tp -72.53 98.74 2.36 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.188 -0.945 . . . . 0.0 109.444 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -146.0 127.69 15.24 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.145 -0.972 . . . . 0.0 109.607 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.9 -34.06 77.26 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.188 -0.945 . . . . 0.0 109.266 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -57.96 -51.28 70.31 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.303 -0.873 . . . . 0.0 109.184 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 98' ' ' ASP . 8.6 tp -64.04 -68.5 0.35 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.284 -0.885 . . . . 0.0 109.11 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.535 ' C ' ' O ' ' A' ' 96' ' ' LEU . 91.6 mt -36.4 -32.51 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.257 -0.902 . . . . 0.0 109.22 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.535 ' N ' ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -66.65 -56.45 10.59 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.264 -0.898 . . . . 0.0 109.297 179.908 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -63.56 -37.31 86.84 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.266 -0.896 . . . . 0.0 109.149 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.0 tp-100 -58.33 -53.58 56.74 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.33 -0.856 . . . . 0.0 109.137 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.476 ' O ' ' C ' ' A' ' 102' ' ' GLU . 21.1 t -66.09 -58.88 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.361 -0.837 . . . . 0.0 109.329 179.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 101' ' ' VAL . 21.8 tt0 -39.5 -32.72 0.13 Allowed 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.212 -0.93 . . . . 0.0 109.335 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 101' ' ' VAL . 3.2 mmtt -76.13 -60.6 2.26 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.279 -0.888 . . . . 0.0 109.229 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.426 HD11 ' CE2' ' A' ' 65' ' ' PHE . 27.8 mt -50.38 -23.72 2.56 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.279 -0.888 . . . . 0.0 109.332 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 78.1 t -75.29 -61.2 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.327 -0.858 . . . . 0.0 109.376 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 44.6 m-20 -49.88 -47.71 51.79 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.174 -0.954 . . . . 0.0 109.271 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 108' ' ' ALA . 0.8 OUTLIER -57.29 -57.5 12.34 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.229 -0.919 . . . . 0.0 109.464 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.496 ' HB1' HG13 ' A' ' 113' ' ' ILE . . . -41.44 -62.41 0.87 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.132 -0.98 . . . . 0.0 109.562 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -55.3 -38.4 68.6 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.319 -0.863 . . . . 0.0 109.717 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 19.4 tttp -50.37 -35.68 29.09 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.152 -0.968 . . . . 0.0 109.652 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 77.8 m-85 -96.54 -77.12 0.49 Allowed 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.23 -0.919 . . . . 0.0 109.725 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 0.7 OUTLIER 166.02 32.42 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.252 -0.905 . . . . 0.0 109.601 -179.911 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.496 HG13 ' HB1' ' A' ' 108' ' ' ALA . 25.1 pt -115.94 174.85 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.222 -0.924 . . . . 0.0 109.281 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 115' ' ' TYR . 0.6 OUTLIER -118.22 146.15 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.248 -0.907 . . . . 0.0 109.751 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.692 ' O ' ' CD2' ' A' ' 115' ' ' TYR . 1.3 t80 -114.88 100.11 7.97 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.438 -0.789 . . . . 0.0 108.959 179.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -150.84 82.87 1.34 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.18 -0.95 . . . . 0.0 109.642 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 161.54 73.06 0.02 OUTLIER Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.739 -1.345 . . . . 0.0 109.739 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.417 ' HZ2' HD12 ' A' ' 24' ' ' ILE . 5.4 p-90 -118.02 155.8 29.67 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.208 -1.172 . . . . 0.0 109.341 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 170.97 156.14 11.25 Favored Glycine 0 N--CA 1.492 2.403 0 N-CA-C 109.678 -1.369 . . . . 0.0 109.678 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 5.3 t -113.35 176.55 4.97 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.258 -1.142 . . . . 0.0 109.486 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.517 ' O ' ' C ' ' A' ' 122' ' ' TYR . 0.7 OUTLIER -105.54 122.28 45.69 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.185 -0.947 . . . . 0.0 109.545 -179.94 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.517 ' C ' ' O ' ' A' ' 121' ' ' TYR . 21.9 t80 -36.86 142.51 0.1 Allowed 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.218 -0.926 . . . . 0.0 109.488 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.13 127.68 35.73 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.285 -0.884 . . . . 0.0 109.562 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 126' ' ' GLU . . . 76.78 68.67 1.49 Allowed Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.691 -1.363 . . . . 0.0 109.691 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 12.1 mt -66.05 76.92 0.09 Allowed 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.228 -1.16 . . . . 0.0 109.503 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 124' ' ' GLY . 10.0 mt-10 -95.42 -170.99 2.28 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.175 -0.953 . . . . 0.0 109.495 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.533 ' ND1' ' N ' ' A' ' 127' ' ' HIS . 0.3 OUTLIER -108.11 -56.88 2.18 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.242 -0.911 . . . . 0.0 109.546 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.475 ' ND1' ' HB2' ' A' ' 127' ' ' HIS . 16.2 m80 -101.56 -160.44 0.79 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.185 -0.947 . . . . 0.0 109.532 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -140.58 -45.61 0.41 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.337 -0.852 . . . . 0.0 109.149 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.596 ' ND1' ' N ' ' A' ' 130' ' ' HIS . 0.1 OUTLIER -88.25 122.59 31.96 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.338 -0.852 . . . . 0.0 109.414 179.825 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.537 ' ND1' ' N ' ' A' ' 131' ' ' HIS . 5.5 p-80 -103.89 99.55 9.32 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.22 -0.925 . . . . 0.0 109.577 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.564 0 CA-C-O 117.978 -1.011 . . . . 0.0 109.413 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.307 0.575 . . . . 0.0 109.52 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.453 ' O ' ' O ' ' A' ' 3' ' ' HIS . 3.2 m -152.96 138.95 18.14 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.304 -0.872 . . . . 0.0 109.23 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.453 ' O ' ' O ' ' A' ' 2' ' ' SER . 18.7 m170 46.76 -171.3 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.112 -0.993 . . . . 0.0 109.139 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -101.12 -46.06 5.19 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.172 -0.955 . . . . 0.0 109.477 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -96.59 107.18 19.57 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.17 -0.956 . . . . 0.0 109.464 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.636 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 0.4 OUTLIER -86.31 -169.87 2.83 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.297 -0.877 . . . . 0.0 109.393 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.564 ' C ' HD23 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -115.34 117.27 29.96 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.249 -0.907 . . . . 0.0 109.619 -179.81 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.835 HD23 ' N ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -105.1 170.78 7.67 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.237 -0.914 . . . . 0.0 109.418 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.56 ' O ' ' N ' ' A' ' 11' ' ' GLU . 0.9 OUTLIER -166.84 95.44 0.51 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.156 -0.965 . . . . 0.0 109.573 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.497 ' C ' ' O ' ' A' ' 9' ' ' SER . 33.9 m -39.2 -26.88 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.187 -0.945 . . . . 0.0 109.156 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -71.78 -59.7 2.61 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.328 -0.857 . . . . 0.0 109.327 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.457 ' N ' ' OE1' ' A' ' 11' ' ' GLU . 5.2 pt-20 -58.32 -29.55 65.99 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.143 -0.973 . . . . 0.0 109.172 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 14' ' ' ILE . 77.5 mt -72.83 -61.82 1.67 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.194 -0.941 . . . . 0.0 108.979 179.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 13' ' ' LEU . 10.5 mt -43.74 -43.83 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.435 -0.791 . . . . 0.0 109.321 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -56.08 -58.43 7.95 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.209 -0.932 . . . . 0.0 109.192 179.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.9 mt -51.06 -51.41 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 O-C-N 121.318 -0.864 . . . . 0.0 109.387 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -52.53 -48.09 66.3 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.296 -0.878 . . . . 0.0 109.389 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.17 -47.66 71.76 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.163 -0.961 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 20' ' ' GLU . 1.7 mm-40 -56.48 -68.73 0.19 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.289 -0.882 . . . . 0.0 109.45 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' A' ' 21' ' ' THR . 40.2 mt-10 -43.61 -63.33 0.86 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.265 -0.897 . . . . 0.0 109.143 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.504 ' O ' ' C ' ' A' ' 22' ' ' ARG . 9.0 m -38.91 -66.97 0.24 Allowed 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.32 -0.862 . . . . 0.0 109.35 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.504 ' C ' ' O ' ' A' ' 21' ' ' THR . 0.6 OUTLIER -38.8 -48.82 1.57 Allowed 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.233 -0.917 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -55.81 -54.7 41.26 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.295 -0.878 . . . . 0.0 109.485 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.453 ' O ' ' C ' ' A' ' 25' ' ' ILE . 83.0 mt -58.11 -64.35 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.243 -0.91 . . . . 0.0 109.459 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.453 ' C ' ' O ' ' A' ' 24' ' ' ILE . 15.8 mm -41.27 -46.53 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.277 -0.89 . . . . 0.0 109.604 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -57.82 -43.0 85.48 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.279 -0.888 . . . . 0.0 109.747 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.64 -43.74 98.04 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.152 -0.968 . . . . 0.0 109.712 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.2 mt -60.7 -51.88 67.47 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.226 -0.921 . . . . 0.0 109.721 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' A' ' 29' ' ' LEU . 5.2 mt -56.68 -55.83 29.17 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.185 -0.947 . . . . 0.0 109.521 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -49.26 -28.56 4.8 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.346 -0.847 . . . . 0.0 109.434 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -72.72 -18.08 61.56 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.271 -0.893 . . . . 0.0 109.45 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.461 ' O ' ' O ' ' A' ' 33' ' ' SER . . . 79.43 37.73 23.26 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.46 -1.456 . . . . 0.0 109.46 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.59 ' OG ' ' N ' ' A' ' 34' ' ' ASP . 2.0 p -60.71 -143.4 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.268 -1.136 . . . . 0.0 109.465 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.59 ' N ' ' OG ' ' A' ' 33' ' ' SER . 0.6 OUTLIER -144.15 69.99 16.2 Favored Pre-proline 0 N--CA 1.49 1.534 0 O-C-N 121.194 -0.942 . . . . 0.0 109.546 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -54.64 -8.3 1.2 Allowed 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.816 2.344 . . . . 0.0 112.141 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -83.59 -24.55 31.47 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.274 -0.891 . . . . 0.0 109.632 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.503 ' O ' ' O ' ' A' ' 38' ' ' LEU . . . -86.92 28.57 0.89 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.188 -0.945 . . . . 0.0 109.504 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.503 ' O ' ' O ' ' A' ' 37' ' ' ALA . 0.4 OUTLIER 55.14 162.51 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.169 -0.957 . . . . 0.0 109.251 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.74 167.99 18.55 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.241 -0.912 . . . . 0.0 109.54 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -123.19 124.79 43.82 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.333 -0.854 . . . . 0.0 109.49 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.489 HD12 ' N ' ' A' ' 41' ' ' ILE . 1.8 mp -104.6 154.16 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.21 -0.931 . . . . 0.0 109.37 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.403 ' N ' ' CG2' ' A' ' 41' ' ' ILE . 17.2 tt0 -133.33 118.76 18.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.28 -0.887 . . . . 0.0 109.605 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -102.06 152.48 20.93 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.361 -0.837 . . . . 0.0 109.36 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.66 ' C ' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -123.46 129.97 52.01 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.267 -0.895 . . . . 0.0 109.338 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.66 HD12 ' C ' ' A' ' 44' ' ' HIS . 5.7 mp -141.7 138.3 32.33 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.232 -0.917 . . . . 0.0 109.456 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.694 ' N ' ' CD1' ' A' ' 46' ' ' PHE . 0.0 OUTLIER -125.87 171.69 10.5 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.24 -0.912 . . . . 0.0 109.594 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.846 ' HB2' HG22 ' A' ' 113' ' ' ILE . . . -154.59 172.62 17.55 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.397 -0.814 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -112.75 -23.5 10.13 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.297 -0.877 . . . . 0.0 109.326 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.52 ' O ' ' C ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER -102.38 91.9 4.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.268 -0.895 . . . . 0.0 109.264 179.868 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.701 ' CD1' ' N ' ' A' ' 51' ' ' ASP . 1.3 p90 -37.16 -42.67 0.46 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.207 -0.933 . . . . 0.0 109.481 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.701 ' N ' ' CD1' ' A' ' 50' ' ' PHE . 54.3 t0 -55.14 -66.79 0.35 Allowed 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.26 -0.9 . . . . 0.0 109.379 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.49 -32.74 28.49 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.165 -0.96 . . . . 0.0 109.272 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.615 ' O ' HD23 ' A' ' 53' ' ' LEU . 4.6 tt -58.76 -52.24 66.56 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.261 -0.899 . . . . 0.0 109.476 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -57.12 -35.16 69.13 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.306 -0.871 . . . . 0.0 109.698 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -62.86 -68.39 0.34 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.194 -0.941 . . . . 0.0 110.003 -179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.42 ' HB2' ' CG ' ' A' ' 111' ' ' PHE . . . -56.45 -21.71 27.31 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.162 -0.961 . . . . 0.0 110.17 -179.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.05 -51.59 10.07 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.041 -1.037 . . . . 0.0 109.68 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.9 t -59.1 -27.21 35.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.323 -0.861 . . . . 0.0 109.873 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.61 -52.22 12.34 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.078 -1.014 . . . . 0.0 109.446 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.36 -42.35 81.88 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.195 -0.94 . . . . 0.0 109.395 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -65.2 -36.99 85.9 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.277 -0.89 . . . . 0.0 109.341 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.4 tttt -74.5 -17.76 60.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.276 -0.89 . . . . 0.0 109.456 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 5.5 ttm -76.4 -52.14 10.47 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.286 -0.883 . . . . 0.0 109.381 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 159.26 1.04 0.08 OUTLIER Glycine 0 N--CA 1.49 2.257 0 N-CA-C 109.431 -1.467 . . . . 0.0 109.431 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -83.66 169.04 15.74 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.266 -1.137 . . . . 0.0 109.351 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -115.9 81.63 1.63 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.203 -0.936 . . . . 0.0 109.156 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.0 p -55.93 139.93 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.333 -0.855 . . . . 0.0 110.031 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.671 ' N ' ' O ' ' A' ' 85' ' ' ASP . 1.0 OUTLIER -118.87 140.07 50.58 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.413 -0.804 . . . . 0.0 108.886 179.597 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 68' ' ' LEU . 17.1 mt-10 -42.22 149.77 0.15 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.15 -0.969 . . . . 0.0 109.502 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.453 ' HB1' ' H ' ' A' ' 83' ' ' CYS . . . -95.37 175.48 6.56 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.286 -0.884 . . . . 0.0 109.795 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.529 ' O ' ' C ' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -132.32 98.09 4.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.432 -0.793 . . . . 0.0 109.413 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.529 ' C ' ' O ' ' A' ' 71' ' ' GLU . 19.3 mt-10 -36.8 109.18 0.09 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.262 -0.899 . . . . 0.0 109.485 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.691 HG22 ' SG ' ' A' ' 83' ' ' CYS . 8.9 t -140.38 -150.63 0.33 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.253 -0.904 . . . . 0.0 109.428 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -143.59 156.09 44.48 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.25 -0.906 . . . . 0.0 109.536 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.457 ' CG ' ' H ' ' A' ' 76' ' ' GLU . 17.4 t0 -95.63 -154.88 0.45 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.247 -0.908 . . . . 0.0 109.496 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.457 ' H ' ' CG ' ' A' ' 75' ' ' ASP . 28.5 tp10 -84.68 28.5 0.67 Allowed 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.253 -0.904 . . . . 0.0 109.464 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.565 ' OD1' ' O ' ' A' ' 77' ' ' ASP . 1.6 t0 -131.61 -22.64 2.4 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.242 -0.911 . . . . 0.0 109.471 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 97.74 15.15 37.91 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -90.37 125.65 35.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.238 -1.154 . . . . 0.0 109.535 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -72.46 132.09 43.42 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.271 -0.893 . . . . 0.0 109.229 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.43 -169.3 3.1 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.172 -0.955 . . . . 0.0 109.737 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.521 ' N ' HD12 ' A' ' 82' ' ' LEU . 4.6 mp -121.72 142.3 50.31 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.28 -0.887 . . . . 0.0 109.428 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.691 ' SG ' HG22 ' A' ' 73' ' ' THR . 0.0 OUTLIER -133.28 105.22 6.85 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.259 -0.901 . . . . 0.0 109.78 -179.853 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.616 ' CD1' ' N ' ' A' ' 84' ' ' PHE . 1.0 OUTLIER -93.83 155.74 17.04 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.165 -0.959 . . . . 0.0 109.207 179.684 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.671 ' O ' ' N ' ' A' ' 68' ' ' LEU . 1.0 OUTLIER -111.67 147.56 35.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.213 -0.929 . . . . 0.0 109.877 -179.571 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -126.77 122.47 34.9 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.248 -0.908 . . . . 0.0 109.278 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.96 158.25 16.67 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.232 -0.917 . . . . 0.0 109.679 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.503 ' C ' HE21 ' A' ' 89' ' ' GLN . 2.1 ttm -159.5 142.41 14.08 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.243 -0.91 . . . . 0.0 109.484 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . 0.576 ' N ' ' NE2' ' A' ' 89' ' ' GLN . 2.1 mm-40 -92.4 121.08 33.53 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.129 -0.982 . . . . 0.0 109.326 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.81 154.23 38.1 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.284 -0.885 . . . . 0.0 109.534 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.14 152.71 43.16 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.207 -0.933 . . . . 0.0 109.489 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.1 tp -70.21 118.49 13.11 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.299 -0.876 . . . . 0.0 109.613 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.476 ' HB2' HD22 ' A' ' 96' ' ' LEU . 6.7 m-20 -172.23 135.21 0.75 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.279 -0.888 . . . . 0.0 109.367 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.502 ' O ' ' C ' ' A' ' 95' ' ' LYS . . . -65.36 -68.74 0.34 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.252 -0.905 . . . . 0.0 109.458 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.502 ' C ' ' O ' ' A' ' 94' ' ' ALA . 0.3 OUTLIER -37.12 -39.68 0.26 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.291 -0.88 . . . . 0.0 109.423 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.476 HD22 ' HB2' ' A' ' 93' ' ' ASP . 2.8 mp -60.61 -61.27 2.71 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.296 -0.878 . . . . 0.0 109.454 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.546 ' O ' HG23 ' A' ' 101' ' ' VAL . 19.3 mt -55.02 -28.48 20.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 121.215 -0.928 . . . . 0.0 109.612 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -64.38 -54.5 31.87 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.199 -0.938 . . . . 0.0 109.385 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -61.22 -45.6 93.9 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.215 -0.928 . . . . 0.0 109.412 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -56.06 -59.17 5.29 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.204 -0.935 . . . . 0.0 109.449 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.629 HG13 ' CZ ' ' A' ' 115' ' ' TYR . 97.9 t -50.27 -53.44 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.195 -0.941 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 101' ' ' VAL . 23.8 tt0 -41.58 -43.71 2.81 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.259 -0.901 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -66.88 -58.43 5.02 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.294 -0.879 . . . . 0.0 109.396 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 32.2 mt -50.56 -18.67 0.72 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.283 -0.885 . . . . 0.0 109.077 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 101' ' ' VAL . 95.8 t -84.97 -69.21 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.388 -0.82 . . . . 0.0 109.229 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -47.47 -34.45 7.37 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.19 -0.944 . . . . 0.0 108.976 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.04 -51.76 23.47 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.416 -0.802 . . . . 0.0 109.186 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.417 ' HB1' HG13 ' A' ' 113' ' ' ILE . . . -53.78 -54.38 39.01 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.281 -0.887 . . . . 0.0 109.13 179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -58.76 -29.95 67.17 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.357 -0.839 . . . . 0.0 109.357 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.72 -29.6 70.16 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.304 -0.872 . . . . 0.0 109.375 179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.593 ' O ' ' CB ' ' A' ' 112' ' ' ASP . 58.9 m-85 -100.63 -77.42 0.54 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.25 -0.906 . . . . 0.0 109.392 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.593 ' CB ' ' O ' ' A' ' 111' ' ' PHE . 1.3 m-20 158.99 36.19 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.252 -0.905 . . . . 0.0 109.735 179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.846 HG22 ' HB2' ' A' ' 47' ' ' ALA . 6.0 pt -114.64 156.15 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.498 0 O-C-N 121.077 -1.015 . . . . 0.0 109.449 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.458 HG23 ' CE2' ' A' ' 46' ' ' PHE . 1.0 OUTLIER -97.95 106.62 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.298 -0.876 . . . . 0.0 109.768 -179.581 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.629 ' CZ ' HG13 ' A' ' 101' ' ' VAL . 2.5 t80 -85.29 109.19 18.19 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.187 -0.945 . . . . 0.0 109.228 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.482 ' OD1' ' C ' ' A' ' 116' ' ' ASP . 36.6 t0 -164.57 85.1 0.42 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.188 -0.945 . . . . 0.0 109.467 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 160.75 72.69 0.02 OUTLIER Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 7.1 p-90 -118.04 143.76 46.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.241 -1.152 . . . . 0.0 109.395 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -169.48 174.63 43.83 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 2.1 t -144.29 171.09 14.79 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.179 -1.189 . . . . 0.0 109.474 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.533 ' O ' ' C ' ' A' ' 122' ' ' TYR . 13.7 p90 -134.94 144.14 47.27 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.316 -0.865 . . . . 0.0 109.398 179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.533 ' C ' ' O ' ' A' ' 121' ' ' TYR . 0.2 OUTLIER -34.38 122.05 0.5 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.31 -0.868 . . . . 0.0 109.612 -179.724 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -93.43 51.53 1.62 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.328 -0.858 . . . . 0.0 109.542 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -154.2 19.89 0.64 Allowed Glycine 0 N--CA 1.491 2.303 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.2 mt -137.43 103.55 5.1 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.168 -1.195 . . . . 0.0 109.445 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -147.57 -38.21 0.2 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.301 -0.875 . . . . 0.0 109.5 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -81.5 83.46 6.99 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.279 -0.888 . . . . 0.0 109.622 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . 0.508 ' C ' ' ND1' ' A' ' 128' ' ' HIS . 0.0 OUTLIER -81.13 -164.14 0.71 Allowed 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.16 -0.963 . . . . 0.0 109.223 179.77 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.453 ' HB3' ' NE2' ' A' ' 131' ' ' HIS . 1.7 t-80 -128.53 -132.09 0.22 Allowed 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.138 -0.976 . . . . 0.0 109.474 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' HIS . . . . . 0.581 ' C ' ' CD2' ' A' ' 131' ' ' HIS . 61.7 t60 -107.54 96.86 6.7 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.247 -0.908 . . . . 0.0 109.516 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . 0.581 ' CD2' ' C ' ' A' ' 130' ' ' HIS . 27.2 m-70 -153.84 162.22 41.41 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.208 -0.932 . . . . 0.0 109.484 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 117.937 -1.03 . . . . 0.0 109.409 179.93 . . . . . . . . 0 0 . 1 stop_ save_