data_2mr7_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 2mr7 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.463 0.219 0 CA-C-O 121.353 0.597 . . . . 0.0 112.053 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -58.57 -34.93 71.62 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.752 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -71.07 -38.78 72.47 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 119.418 -0.325 . . . . 0.0 111.152 -177.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.6 t -67.1 -43.95 88.4 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.861 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.7 mt -62.95 -41.35 99.49 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.415 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.0 m -57.3 -46.82 82.8 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.598 0.237 . . . . 0.0 111.043 174.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.41 -37.01 79.93 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 121.387 -0.82 . . . . 0.0 111.141 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 43.8 mt -66.24 -32.93 74.65 Favored 'General case' 0 C--O 1.214 -0.785 0 O-C-N 121.858 -0.526 . . . . 0.0 111.215 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -59.85 -47.67 84.78 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 174.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.72 -35.89 79.35 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -176.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -65.65 -35.64 81.37 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.485 0.659 . . . . 0.0 111.919 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.3 mm -85.83 -33.62 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.077 0 CA-C-O 122.462 1.125 . . . . 0.0 112.441 -174.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.8 mt -93.92 -25.07 17.45 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 114.231 1.196 . . . . 0.0 114.231 -175.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.72 32.55 57.09 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 120.296 -0.954 . . . . 0.0 113.759 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.8 m -105.83 154.59 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -179.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -64.55 -44.87 89.41 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.604 0.716 . . . . 0.0 111.827 -177.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 87.7 mtt-85 -139.21 157.3 46.17 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.581 -174.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.4 t -136.18 123.23 32.95 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.092 0 O-C-N 127.491 2.994 . . . . 0.0 107.51 175.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.38 168.74 54.04 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 108.989 -1.644 . . . . 0.0 108.989 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -69.45 -20.96 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 121.205 -1.174 . . . . 0.0 111.126 178.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -115.67 20.4 14.67 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -177.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.87 126.64 30.88 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.16 -0.616 . . . . 0.0 111.88 -174.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.87 115.79 17.89 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.21 0.528 . . . . 0.0 110.804 -176.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -49.78 -41.58 44.65 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.859 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 12.2 p-80 -72.31 -26.25 61.87 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -176.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -84.75 -22.96 29.46 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -177.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.9 mt -79.23 11.57 2.8 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.731 174.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.17 4.16 66.91 Favored Glycine 0 C--N 1.331 0.29 0 CA-C-O 121.359 0.422 . . . . 0.0 114.124 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.71 147.38 48.22 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-O 122.486 1.048 . . . . 0.0 115.066 -178.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 79.6 p -137.98 170.29 16.31 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.6 m -61.98 -29.51 70.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.05 0.452 . . . . 0.0 111.203 177.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.32 -34.76 78.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.528 178.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.9 mt -83.97 -34.24 24.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.768 0.318 . . . . 0.0 110.733 176.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.18 -36.8 75.97 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -69.5 -27.24 65.02 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 121.228 -0.92 . . . . 0.0 111.998 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -75.98 -31.59 59.06 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 177.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.6 tp -67.46 -46.41 73.12 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 69.2 mt -59.8 -41.66 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.003 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.44 -45.2 94.52 Favored 'General case' 0 C--O 1.206 -1.204 0 C-N-CA 120.329 -0.548 . . . . 0.0 111.293 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 -64.24 -34.89 79.14 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 121.322 -0.861 . . . . 0.0 111.607 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.1 mt -61.99 -32.38 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.775 0 CA-C-O 121.353 0.597 . . . . 0.0 110.938 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -68.83 -30.25 68.76 Favored 'General case' 0 CA--C 1.503 -0.84 0 C-N-CA 119.576 -0.85 . . . . 0.0 112.497 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -75.74 -39.47 57.13 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 104.165 -2.531 . . . . 0.0 104.165 -174.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -90.05 -46.2 8.65 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.84 -169.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.4 mt -100.73 -7.64 23.56 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-O 121.093 0.473 . . . . 0.0 110.769 -174.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.23 16.83 78.61 Favored Glycine 0 N--CA 1.465 0.625 0 CA-C-N 115.421 -0.809 . . . . 0.0 115.113 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.0 m -139.04 156.19 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 118.066 0.933 . . . . 0.0 111.132 -176.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -84.17 122.73 29.25 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -73.61 120.9 83.58 Favored Pre-proline 0 CA--C 1.543 0.711 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -68.42 106.63 1.45 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 CA-C-O 121.469 0.529 . . . . 0.0 112.809 177.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.7 tt -56.05 -26.36 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -175.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.2 mmm-85 -63.7 -34.63 78.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 120.716 -1.24 . . . . 0.0 110.458 175.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -75.44 -31.85 60.47 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.5 tp -65.5 -41.79 92.81 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 177.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -70.88 -38.24 73.06 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.106 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.3 t -71.77 -28.0 63.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.876 0.37 . . . . 0.0 111.489 -178.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.2 m -142.39 83.88 11.72 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -79.11 32.67 0.47 Allowed 'Trans proline' 0 N--CA 1.48 0.726 0 C-N-CA 121.857 1.705 . . . . 0.0 114.492 -176.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 81.6 p -120.72 153.71 56.95 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 176.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.25 -31.78 17.71 Favored 'Trans proline' 0 CA--C 1.535 0.566 0 C-N-CA 115.593 -2.471 . . . . 0.0 114.401 -173.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.9 -29.21 35.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 121.357 -0.84 . . . . 0.0 109.76 175.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.56 -49.85 53.17 Favored Glycine 0 CA--C 1.5 -0.865 0 C-N-CA 120.192 -1.004 . . . . 0.0 110.674 -177.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.51 -36.93 77.37 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.304 0 CA-C-O 119.49 -0.29 . . . . 0.0 110.369 -176.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.85 -44.14 97.43 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 123.862 0.726 . . . . 0.0 111.682 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -77.36 -31.6 54.45 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.442 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.22 -49.27 67.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.032 0.444 . . . . 0.0 112.104 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 C--O 1.218 -0.59 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.2 177.756 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.4 m . . . . . 0 C--O 1.221 -0.408 0 CA-C-O 121.131 0.491 . . . . 74.42 110.541 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.16 -40.04 80.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.854 -0.612 . . . . 70.45 111.045 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -68.4 -35.85 78.27 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.089 0.403 . . . . 74.0 112.089 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.4 t -67.18 -45.1 87.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 107.876 -1.157 . . . . 74.41 107.876 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.4 mt -64.42 -37.98 89.43 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 116.057 -0.52 . . . . 73.23 111.68 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.4 m -58.38 -46.86 85.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.31 -0.244 . . . . 70.21 110.97 174.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.53 -33.69 74.54 Favored 'General case' 0 C--O 1.218 -0.596 0 O-C-N 121.627 -0.671 . . . . 73.23 110.061 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.06 -37.58 88.03 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 119.278 -0.391 . . . . 73.35 110.762 176.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -60.54 -45.01 95.47 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 107.126 -1.435 . . . . 73.4 107.126 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.52 -36.36 80.32 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 114.719 1.377 . . . . 75.53 114.719 -175.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.0 -32.95 69.91 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.823 -0.548 . . . . 75.33 109.853 -177.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.8 mm -84.91 -36.89 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.508 0 N-CA-C 113.693 0.997 . . . . 75.24 113.693 -176.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.2 mt -88.63 -18.25 28.37 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 124.015 0.926 . . . . 74.43 111.924 -177.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.18 32.89 51.05 Favored Glycine 0 C--O 1.226 -0.404 0 C-N-CA 121.152 -0.547 . . . . 74.22 113.092 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.7 m -115.55 154.15 17.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 122.473 -0.428 . . . . 73.54 110.357 -178.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.47 ' HB2' ' HE ' ' A' ' 27' ' ' ARG . 94.0 mt-10 -68.61 -34.95 76.66 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 114.456 1.28 . . . . 75.22 114.456 -176.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.47 ' HE ' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -146.35 158.06 43.85 Favored 'General case' 0 CA--C 1.494 -1.2 0 O-C-N 121.971 -0.456 . . . . 75.2 110.103 -173.443 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.66 137.88 31.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.31 -0.859 . . . . 74.32 109.32 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.35 164.19 39.83 Favored Glycine 0 CA--C 1.518 0.254 0 O-C-N 121.464 -0.773 . . . . 72.11 112.047 175.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -66.66 -22.81 30.3 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.986 0 O-C-N 121.658 -0.907 . . . . 51.42 112.91 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.99 22.85 12.29 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 120.935 0.397 . . . . 71.43 111.092 179.134 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.73 133.01 47.01 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.48 -0.488 . . . . 74.11 110.326 -175.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.43 123.16 27.27 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.524 -0.47 . . . . 64.11 109.791 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -51.64 -39.93 59.03 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.287 0.477 . . . . 72.15 112.287 -178.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -79.0 -14.32 59.27 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 114.863 1.431 . . . . 71.32 114.863 -177.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -71.48 -34.37 70.12 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.695 0.759 . . . . 71.22 109.319 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -82.11 20.1 1.07 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.193 -0.912 . . . . 61.2 110.683 176.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.1 9.72 83.74 Favored Glycine 0 C--O 1.239 0.446 0 O-C-N 121.945 -0.472 . . . . 65.44 113.243 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.8 132.85 49.57 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-O 122.093 0.829 . . . . 73.21 112.69 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.8 m -122.2 165.37 16.26 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.072 -0.564 . . . . 75.32 109.501 -176.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 t -55.9 -36.97 68.25 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.118 0.414 . . . . 71.05 112.118 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.95 -37.58 88.13 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.8 -0.563 . . . . 74.25 111.708 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.5 mt -71.99 -31.18 66.0 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.146 -0.346 . . . . 75.42 110.678 178.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.29 -34.55 75.4 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 116.488 -0.324 . . . . 72.43 110.344 177.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 89.0 mtp -65.38 -31.97 73.36 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 121.427 0.632 . . . . 74.14 110.582 177.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -75.82 -36.53 59.64 Favored 'General case' 0 C--O 1.205 -1.255 0 CA-C-O 121.156 0.503 . . . . 74.33 110.376 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 41.9 tp -58.45 -47.44 84.0 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.475 -1.239 . . . . 72.33 108.841 177.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 57.3 mt -60.45 -38.84 79.26 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 CA-C-N 114.647 -1.161 . . . . 71.35 110.309 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.53 -42.43 98.81 Favored 'General case' 0 C--O 1.207 -1.145 0 C-N-CA 120.396 -0.522 . . . . 73.22 110.98 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 72.3 mtt-85 -67.73 -31.53 71.52 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 113.648 0.981 . . . . 75.22 113.648 178.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.1 mt -61.67 -32.82 54.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 O-C-N 121.445 -0.784 . . . . 75.54 110.28 176.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -66.38 -29.63 69.84 Favored 'General case' 0 C--O 1.219 -0.52 0 O-C-N 121.337 -0.852 . . . . 74.35 112.505 175.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -81.52 -33.94 31.51 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.479 -0.563 . . . . 73.52 109.479 -175.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -91.22 -52.02 5.02 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 115.021 1.489 . . . . 55.34 115.021 -176.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.6 mt -96.61 -8.18 32.38 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 122.43 1.109 . . . . 74.42 109.976 -173.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.77 19.56 79.37 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 114.752 -1.113 . . . . 74.12 114.784 177.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.0 m -140.83 153.25 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-O 121.35 0.595 . . . . 72.43 111.358 -175.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -83.93 109.57 17.71 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.242 -0.651 . . . . 74.33 109.242 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.5 tp -65.94 123.78 85.9 Favored Pre-proline 0 C--N 1.327 -0.403 0 C-N-CA 119.933 -0.707 . . . . 72.23 109.196 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -64.81 123.4 11.61 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 117.878 -0.948 . . . . 73.41 110.015 171.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.0 tt -60.96 -24.29 32.4 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-O 121.336 0.589 . . . . 75.44 111.365 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.2 tpp85 -63.5 -34.55 78.02 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 121.577 -0.702 . . . . 74.11 110.462 176.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -68.28 -36.37 79.29 Favored 'General case' 0 N--CA 1.432 -1.33 0 CA-C-N 119.287 0.949 . . . . 71.34 109.455 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.9 tp -65.68 -43.77 88.24 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.523 0.678 . . . . 62.21 109.704 178.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -69.86 -24.34 63.42 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.835 -0.541 . . . . 63.23 112.111 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.7 m -82.08 -23.72 35.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.073 0.464 . . . . 74.42 110.648 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.6 m -153.2 92.38 3.26 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 109.637 -0.505 . . . . 73.13 109.637 -178.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -80.06 18.86 1.1 Allowed 'Trans proline' 0 CA--C 1.539 0.761 0 N-CA-C 115.978 1.492 . . . . 74.23 115.978 -174.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 39.8 p -111.43 155.84 42.22 Favored Pre-proline 0 CA--C 1.51 -0.579 0 CA-C-N 118.551 0.614 . . . . 74.11 109.754 178.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -68.89 -32.87 21.54 Favored 'Trans proline' 0 C--O 1.252 1.216 0 C-N-CA 115.297 -2.669 . . . . 75.55 113.141 -174.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -79.33 -28.31 42.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 119.864 1.211 . . . . 74.44 112.101 174.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.03 -47.99 69.22 Favored Glycine 0 CA--C 1.5 -0.888 0 N-CA-C 110.407 -1.077 . . . . 75.51 110.407 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.2 p -66.09 -33.7 65.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 C-N-CA 121.34 -0.144 . . . . 71.53 111.307 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.74 -44.39 97.0 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.019 0.928 . . . . 71.34 109.582 176.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 65.2 mtm180 -66.64 -42.14 87.17 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 120.974 -1.079 . . . . 74.23 109.604 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.02 -44.93 87.57 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.646 -0.706 . . . . 53.24 112.81 -176.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.4 pp . . . . . 0 C--N 1.314 -0.956 0 O-C-N 121.983 -0.448 . . . . 72.21 110.117 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.234 0.277 0 CA-C-O 120.863 0.363 . . . . 72.41 110.956 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -59.06 -44.54 91.84 Favored 'General case' 0 CA--C 1.505 -0.787 0 N-CA-C 113.036 0.754 . . . . 71.0 113.036 -175.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -62.98 -32.99 74.45 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 119.572 -0.851 . . . . 72.12 112.449 -175.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.8 t -70.45 -49.77 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 N-CA-C 109.896 -0.409 . . . . 71.45 109.896 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 pp -69.76 -30.51 68.11 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.51 -0.476 . . . . 72.32 111.668 -178.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.5 m -63.22 -45.09 93.25 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 121.986 -0.446 . . . . 74.22 110.705 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.04 86.29 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.756 -0.59 . . . . 74.04 109.802 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 mp -63.46 -38.57 91.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.969 -0.559 . . . . 71.45 110.566 177.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -57.01 -45.41 83.08 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 106.941 -1.503 . . . . 72.42 106.941 177.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.71 -39.06 87.16 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 113.985 1.106 . . . . 72.4 113.985 -176.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -67.64 -41.76 83.36 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.823 0.675 . . . . 73.44 112.823 177.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 30.0 mm -76.11 -36.82 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.033 0 CA-C-N 114.863 -1.062 . . . . 73.23 111.694 -173.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 mt -91.74 -19.15 22.91 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.375 -0.83 . . . . 73.31 112.271 -177.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.25 34.76 54.29 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.758 -0.734 . . . . 75.25 113.046 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.2 m -111.67 153.3 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-O 121.038 0.447 . . . . 74.01 111.113 -177.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -67.71 -32.06 72.43 Favored 'General case' 0 C--O 1.275 2.405 0 N-CA-C 113.595 0.961 . . . . 74.01 113.595 -174.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.296 43.0 ttp180 -152.8 157.64 41.07 Favored 'General case' 0 N--CA 1.417 -2.097 0 N-CA-C 105.754 -1.943 . . . . 75.24 105.754 -171.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.3 t -134.0 129.71 54.54 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 CA-C-O 122.819 1.295 . . . . 75.04 113.405 172.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.61 169.57 27.43 Favored Glycine 0 N--CA 1.439 -1.152 0 O-C-N 119.591 -1.943 . . . . 75.05 113.572 172.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -66.4 -23.72 32.09 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 N-CA-C 114.977 1.473 . . . . 74.11 114.977 177.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -98.71 3.66 47.7 Favored 'General case' 0 N--CA 1.437 -1.1 0 N-CA-C 115.281 1.586 . . . . 71.25 115.281 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.33 116.84 18.27 Favored 'General case' 0 C--N 1.308 -1.225 0 O-C-N 120.954 -1.091 . . . . 75.15 110.331 -169.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.56 132.72 37.27 Favored 'General case' 0 C--O 1.21 -0.984 0 CA-C-O 122.076 0.941 . . . . 74.04 108.497 -176.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -55.85 -37.25 68.5 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.455 -1.248 . . . . 72.32 109.503 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -78.46 -18.45 54.86 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 120.942 -1.099 . . . . 73.22 113.802 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -81.25 -30.17 34.21 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 106.893 -1.521 . . . . 74.2 106.893 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 78.3 mt -82.55 19.46 1.27 Allowed 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 114.616 -1.175 . . . . 74.43 111.577 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.04 2.78 88.13 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 116.195 1.238 . . . . 73.32 116.195 176.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.76 150.34 49.21 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 115.017 0.767 . . . . 70.15 115.017 -178.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 84.9 p -126.03 170.73 11.44 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 122.875 0.47 . . . . 75.51 109.796 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.1 p -65.3 -30.6 71.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.965 0.412 . . . . 71.42 110.725 177.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.14 -43.62 77.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.395 0.617 . . . . 75.34 109.458 176.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.0 tp -67.55 -32.26 72.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.907 -0.588 . . . . 74.43 110.896 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.38 -31.38 65.74 Favored 'General case' 0 C--O 1.205 -1.239 0 N-CA-C 112.602 0.593 . . . . 74.25 112.602 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.5 mmt -62.27 -31.69 72.3 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 121.71 0.767 . . . . 75.15 110.923 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -75.14 -35.33 61.67 Favored 'General case' 0 CA--C 1.507 -0.694 0 O-C-N 121.667 -0.646 . . . . 74.3 109.973 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 53.0 tp -62.08 -47.35 85.06 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 107.936 -1.135 . . . . 71.45 107.936 177.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 71.2 mt -60.4 -43.59 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-N 115.41 -0.814 . . . . 74.0 109.338 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.84 96.2 Favored 'General case' 0 C--O 1.21 -1.015 0 C-N-CA 121.354 -0.138 . . . . 63.12 111.15 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.58 -39.46 93.78 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 120.942 0.401 . . . . 75.41 111.754 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 79.7 mt -62.04 -29.78 47.24 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.112 0 N-CA-C 112.448 0.536 . . . . 70.34 112.448 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -66.19 -31.39 72.2 Favored 'General case' 0 C--O 1.172 -3.005 0 N-CA-C 112.836 0.68 . . . . 74.54 112.836 177.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -78.52 -38.98 39.31 Favored 'General case' 0 CA--C 1.487 -1.465 0 N-CA-C 106.241 -1.763 . . . . 75.23 106.241 -176.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -82.23 -43.59 17.43 Favored 'General case' 0 CA--C 1.562 1.441 0 CA-C-O 121.677 0.751 . . . . 74.34 112.062 -170.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.2 mt -112.88 -4.7 13.92 Favored 'General case' 0 C--N 1.358 0.962 0 O-C-N 121.834 -0.541 . . . . 73.31 110.38 -169.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.96 17.62 79.45 Favored Glycine 0 N--CA 1.475 1.265 0 C-N-CA 120.441 -0.885 . . . . 72.21 114.392 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.4 m -140.63 148.29 22.17 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 CA-C-O 121.661 0.743 . . . . 61.11 112.622 -177.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -77.3 117.84 19.2 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 107.644 -1.243 . . . . 75.33 107.644 173.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.3 tp -61.97 126.95 88.47 Favored Pre-proline 0 CA--C 1.539 0.521 0 N-CA-C 108.201 -1.037 . . . . 74.43 108.201 176.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -63.68 118.93 5.84 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 117.328 -1.314 . . . . 74.53 111.228 176.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.8 tt -62.51 -25.28 37.55 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 O-C-N 121.798 -0.564 . . . . 72.42 110.693 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -61.38 -41.3 96.87 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 122.084 -0.385 . . . . 75.35 110.545 175.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -69.21 -38.09 78.4 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 118.039 0.381 . . . . 72.15 110.358 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.4 tp -64.96 -43.96 90.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.503 -0.317 . . . . 74.03 110.623 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.4 m-30 -69.88 -31.32 69.07 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.201 0.445 . . . . 74.41 112.201 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.0 m -76.11 -22.94 54.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.128 0.49 . . . . 63.43 111.563 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 65.6 m -150.23 86.31 5.22 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.521 -0.308 . . . . 74.34 110.276 -178.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -78.6 24.37 0.57 Allowed 'Trans proline' 0 CA--C 1.539 0.773 0 N-CA-C 116.02 1.508 . . . . 75.23 116.02 -176.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.6 p -115.75 155.09 48.02 Favored Pre-proline 0 C--O 1.237 0.417 0 N-CA-C 106.992 -1.484 . . . . 75.12 106.992 175.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -66.85 -36.41 23.61 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 N-CA-C 114.527 0.934 . . . . 75.03 114.527 -177.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.6 -31.46 63.58 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 121.416 -0.803 . . . . 63.2 109.791 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.4 -49.97 41.44 Favored Glycine 0 N--CA 1.442 -0.949 0 N-CA-C 110.285 -1.126 . . . . 72.31 110.285 -177.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.0 p -66.28 -32.45 58.12 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.561 0 O-C-N 122.128 -0.631 . . . . 73.4 110.592 -177.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.24 -48.92 77.84 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 120.278 -0.569 . . . . 73.13 112.138 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.9 ptt-85 -69.56 -32.29 70.99 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 119.5 -0.88 . . . . 74.24 109.688 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.97 -41.01 78.5 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 121.093 0.473 . . . . 74.12 111.167 -177.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 C--N 1.317 -0.846 0 O-C-N 122.034 -0.416 . . . . 71.14 111.352 179.946 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.2 m . . . . . 0 N--CA 1.464 0.246 0 N-CA-C 113.088 0.773 . . . . 71.14 113.088 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.01 -38.51 76.29 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 121.361 0.6 . . . . 74.42 110.533 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -73.94 -34.61 64.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.295 -0.412 . . . . 71.44 111.209 -175.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.1 t -66.97 -45.38 87.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 107.216 -1.402 . . . . 74.23 107.216 177.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.0 mt -66.27 -39.31 89.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.438 -0.346 . . . . 71.43 111.68 -178.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 49.6 m -57.89 -45.79 85.9 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.999 -0.28 . . . . 74.14 110.375 175.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.17 -39.2 82.61 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.595 0.712 . . . . 74.44 111.502 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 tp -62.01 -33.51 74.48 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.507 -0.746 . . . . 75.14 112.47 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -61.92 -44.97 95.69 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.478 -1.304 . . . . 73.41 107.478 175.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.28 -40.69 97.08 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 120.049 -0.661 . . . . 72.5 112.728 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -64.08 -32.06 73.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.409 0.623 . . . . 75.31 111.924 -178.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 34.9 mm -91.01 -37.71 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.916 0 N-CA-C 114.563 1.32 . . . . 73.12 114.563 -175.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.5 mt -89.34 -21.18 23.24 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.712 -0.676 . . . . 65.15 112.581 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.2 26.87 60.93 Favored Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.094 -1.051 . . . . 73.12 113.543 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -102.38 151.62 5.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 121.992 -0.711 . . . . 73.24 111.421 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -68.52 -29.82 68.49 Favored 'General case' 0 C--O 1.246 0.906 0 N-CA-C 112.827 0.677 . . . . 73.1 112.827 -174.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -147.16 149.72 33.53 Favored 'General case' 0 CA--C 1.505 -0.787 0 O-C-N 121.397 -0.814 . . . . 74.2 109.687 -172.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.3 t -138.65 131.13 38.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 106.502 -1.666 . . . . 70.24 106.502 175.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.64 171.48 30.5 Favored Glycine 0 CA--C 1.533 1.197 0 N-CA-C 110.017 -1.233 . . . . 71.34 110.017 175.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.1 m -71.59 -22.22 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 N-CA-C 113.198 0.814 . . . . 74.15 113.198 -177.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -111.84 17.9 19.36 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.47 -1.241 . . . . 75.32 110.3 -177.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.38 122.43 22.95 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.395 -0.522 . . . . 74.11 110.859 -176.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.62 127.25 32.66 Favored 'General case' 0 C--O 1.211 -0.935 0 N-CA-C 108.613 -0.884 . . . . 72.3 108.613 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -56.03 -35.89 67.36 Favored 'General case' 0 C--O 1.211 -0.928 0 CA-C-N 116.192 -0.458 . . . . 74.01 110.913 -178.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -79.97 -20.93 44.4 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 114.349 1.24 . . . . 74.43 114.349 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -74.13 -33.68 63.63 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 122.616 1.198 . . . . 71.43 108.202 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.2 mt -79.95 22.23 0.51 Allowed 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 114.287 -1.324 . . . . 71.21 112.76 177.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.94 27.73 52.4 Favored Glycine 0 N--CA 1.464 0.543 0 N-CA-C 114.654 0.621 . . . . 74.3 114.654 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.15 156.52 52.07 Favored Glycine 0 CA--C 1.523 0.566 0 CA-C-O 122.471 1.039 . . . . 72.41 115.636 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.7 t -143.01 158.12 43.9 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.021 -1.103 . . . . 64.14 108.021 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.8 p -63.7 -32.34 73.8 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.57 -0.9 . . . . 75.11 108.57 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.19 -29.46 70.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.162 -0.927 . . . . 63.43 110.809 178.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.5 mt -88.67 -29.08 20.17 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 122.346 -0.222 . . . . 72.15 110.988 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.21 -43.03 87.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.649 0.261 . . . . 63.42 110.404 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 27.7 ptm -69.75 -27.05 64.62 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.481 -0.488 . . . . 71.03 111.754 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -74.72 -31.39 61.83 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.232 0.539 . . . . 75.34 109.705 176.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 48.2 tp -67.86 -46.68 71.04 Favored 'General case' 0 C--O 1.212 -0.884 0 N-CA-C 108.15 -1.056 . . . . 72.32 108.15 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.6 mt -61.08 -37.9 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-N 116.253 -0.43 . . . . 74.43 110.26 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.26 99.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.139 0.495 . . . . 64.23 109.848 177.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -68.53 -32.98 73.31 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.568 0.951 . . . . 74.22 113.568 177.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.6 mt -59.23 -35.26 56.9 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 CA-C-O 122.776 1.274 . . . . 74.23 111.627 176.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -60.9 -28.61 69.03 Favored 'General case' 0 CA--C 1.511 -0.53 0 O-C-N 120.589 -1.319 . . . . 75.34 113.425 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -81.12 -40.22 24.37 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 106.85 -1.537 . . . . 74.41 106.85 -175.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -82.51 -52.45 6.84 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.097 -0.956 . . . . 72.24 112.474 -170.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.7 mt -96.57 -9.44 29.44 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-N 115.749 -0.66 . . . . 71.2 110.562 -175.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.65 18.91 79.64 Favored Glycine 0 C--N 1.339 0.695 0 N-CA-C 115.904 1.122 . . . . 54.11 115.904 178.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.5 m -139.1 152.05 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 121.37 0.605 . . . . 71.42 111.66 -175.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -84.22 98.39 9.92 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.991 -1.115 . . . . 74.21 107.991 175.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -71.11 121.03 83.01 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-O 121.373 0.606 . . . . 74.31 111.177 -174.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -61.7 132.67 41.29 Favored 'Trans proline' 0 C--N 1.345 0.394 0 N-CA-C 111.473 -0.241 . . . . 73.24 111.473 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.5 tt -61.58 -22.81 28.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 O-C-N 121.744 -0.597 . . . . 74.42 111.427 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -64.98 -33.21 75.51 Favored 'General case' 0 C--O 1.207 -1.172 0 O-C-N 121.923 -0.486 . . . . 75.24 111.091 175.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -40.79 76.59 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 108.49 -0.93 . . . . 73.13 108.49 177.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.4 tp -65.64 -46.16 80.29 Favored 'General case' 0 C--O 1.213 -0.853 0 CA-C-N 116.627 -0.261 . . . . 71.44 111.567 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -71.57 -25.4 62.18 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.703 0.631 . . . . 73.24 112.703 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.8 t -69.43 -30.8 68.82 Favored 'General case' 0 CA--C 1.509 -0.626 0 C-N-CA 120.958 -0.297 . . . . 72.12 110.723 178.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.9 m -151.5 90.06 4.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 108.847 -0.797 . . . . 64.32 108.847 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -79.23 27.81 0.51 Allowed 'Trans proline' 0 C--N 1.354 0.841 0 N-CA-C 116.278 1.607 . . . . 73.12 116.278 -173.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.0 p -116.8 152.36 48.42 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 106.364 -1.717 . . . . 72.5 106.364 178.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -66.63 -32.77 37.71 Favored 'Trans proline' 0 CA--C 1.536 0.616 0 C-N-CA 113.582 -3.812 . . . . 74.02 114.428 -173.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.92 -31.55 63.13 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 120.904 -1.123 . . . . 72.21 109.615 175.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -64.62 -44.55 94.84 Favored Glycine 0 C--O 1.222 -0.602 0 C-N-CA 120.558 -0.829 . . . . 65.12 111.762 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.1 t -57.57 -41.64 79.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 108.665 -0.865 . . . . 73.32 108.665 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.51 98.99 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-O 121.077 0.465 . . . . 74.05 111.169 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 65.7 mtm180 -68.47 -40.44 81.01 Favored 'General case' 0 C--N 1.308 -1.208 0 O-C-N 121.198 -0.939 . . . . 75.42 110.352 178.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.54 -36.8 84.89 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.996 -0.547 . . . . 74.23 111.937 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 C--N 1.318 -0.767 0 O-C-N 122.12 -0.363 . . . . 73.42 111.531 179.444 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.225 -0.193 0 CA-C-O 121.088 0.47 . . . . 74.3 110.909 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -62.39 -42.0 99.08 Favored 'General case' 0 C--O 1.213 -0.863 0 CA-C-N 116.225 -0.443 . . . . 72.34 112.002 -176.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -64.23 -30.72 71.77 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 120.247 -0.581 . . . . 73.35 112.501 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.9 t -71.06 -45.69 70.93 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.56 0 N-CA-C 107.153 -1.425 . . . . 73.42 107.153 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.2 mt -63.66 -43.41 96.81 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.034 -0.53 . . . . 73.21 110.717 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.7 m -57.5 -46.49 83.7 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-O 120.739 0.304 . . . . 75.21 111.307 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.35 -36.28 74.09 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 119.834 -0.746 . . . . 72.32 111.068 -178.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mp -66.35 -31.49 72.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.134 -0.354 . . . . 75.24 111.856 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -60.06 -53.12 61.58 Favored 'General case' 0 C--O 1.203 -1.362 0 N-CA-C 106.18 -1.785 . . . . 73.45 106.18 172.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.11 -46.87 84.84 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.219 0.822 . . . . 61.14 113.219 -175.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -60.64 -33.86 73.43 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.309 0.576 . . . . 74.1 112.378 -177.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 89.9 mt -92.63 -39.89 11.63 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 N-CA-C 112.605 0.594 . . . . 71.52 112.605 -176.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.8 mt -77.54 -25.37 50.09 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.129 0.571 . . . . 75.55 111.279 -177.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.23 35.04 49.9 Favored Glycine 0 C--N 1.329 0.187 0 C-N-CA 120.486 -0.864 . . . . 74.23 112.639 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -109.02 157.23 9.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 121.216 0.531 . . . . 75.13 111.777 -176.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -63.95 -40.24 95.97 Favored 'General case' 0 C--O 1.244 0.797 0 N-CA-C 114.12 1.155 . . . . 74.31 114.12 -176.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -149.51 162.37 40.29 Favored 'General case' 0 CA--C 1.49 -1.353 0 O-C-N 121.963 -0.461 . . . . 73.45 110.483 -177.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.9 t -139.11 126.42 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.66 0 N-CA-C 106.763 -1.569 . . . . 73.11 106.763 175.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.49 165.06 29.66 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 109.706 -1.358 . . . . 75.41 109.706 173.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -25.33 33.7 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 117.894 0.847 . . . . 74.22 112.164 177.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -110.68 19.49 18.6 Favored 'General case' 0 C--O 1.21 -0.992 0 O-C-N 121.968 -0.457 . . . . 73.02 111.784 -177.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.96 130.78 35.55 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 120.323 -0.551 . . . . 74.45 112.385 -175.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.22 124.53 27.96 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.573 0.701 . . . . 75.4 111.284 -176.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -53.14 -40.57 64.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.494 -0.775 . . . . 70.22 111.722 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -78.98 -22.16 46.01 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 114.438 1.273 . . . . 74.31 114.438 -177.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -75.45 -32.31 60.59 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 107.252 -1.388 . . . . 65.42 107.252 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.6 mp -81.58 15.26 2.18 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 113.844 -1.526 . . . . 75.02 110.56 176.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.17 1.01 79.73 Favored Glycine 0 C--O 1.214 -1.149 0 N-CA-C 117.301 1.68 . . . . 74.1 117.301 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -73.84 101.53 1.22 Allowed Glycine 0 C--N 1.317 -0.484 0 N-CA-C 115.945 1.138 . . . . 52.23 115.945 -176.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.3 p -72.03 163.89 27.09 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.108 0.48 . . . . 75.34 110.691 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.8 t -64.68 -23.95 67.42 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.736 -0.602 . . . . 64.11 111.447 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.38 -38.5 74.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.621 0.724 . . . . 73.32 109.242 177.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.3 tp -71.02 -32.58 69.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.593 -0.73 . . . . 72.1 110.475 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.5 -31.76 62.31 Favored 'General case' 0 C--O 1.206 -1.185 0 N-CA-C 112.708 0.633 . . . . 62.22 112.708 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.6 mmt -64.1 -30.72 71.77 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 121.486 -0.759 . . . . 64.14 111.761 177.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -76.35 -32.83 58.86 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.397 -0.815 . . . . 74.03 109.389 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 43.7 tp -60.88 -47.4 86.57 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 108.933 -0.766 . . . . 75.24 108.933 176.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.9 mt -61.71 -40.35 86.5 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 CA-C-N 115.75 -0.659 . . . . 75.04 110.576 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.49 94.06 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 120.857 -0.337 . . . . 72.14 111.428 177.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -65.85 -33.08 75.02 Favored 'General case' 0 C--O 1.208 -1.116 0 O-C-N 122.924 0.14 . . . . 61.04 111.186 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.9 mt -64.13 -27.46 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.68 0 O-C-N 123.915 0.76 . . . . 73.33 110.036 -177.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -65.12 -31.62 72.91 Favored 'General case' 0 C--O 1.202 -1.397 0 CA-C-O 121.85 0.834 . . . . 75.54 112.273 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -80.7 -34.27 34.71 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.893 -0.781 . . . . 72.24 108.893 -175.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -88.29 -45.39 10.08 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 113.554 -1.657 . . . . 72.4 112.375 -174.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 61.3 mt -102.18 -7.99 21.72 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-N 118.911 0.778 . . . . 73.3 110.758 -174.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.77 20.16 79.62 Favored Glycine 0 N--CA 1.465 0.594 0 CA-C-N 115.547 -0.751 . . . . 72.24 113.868 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.7 p -145.77 149.31 16.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.893 0.346 . . . . 74.14 110.453 -175.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -81.14 121.65 26.38 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.754 -0.832 . . . . 73.22 108.754 174.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -66.06 122.38 80.85 Favored Pre-proline 0 C--O 1.241 0.635 0 N-CA-C 109.764 -0.458 . . . . 73.42 109.764 -177.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -67.47 112.06 2.49 Favored 'Trans proline' 0 C--N 1.345 0.39 0 CA-C-O 121.62 0.592 . . . . 74.23 111.832 176.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.6 tt -58.05 -22.67 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 113.431 0.901 . . . . 74.04 113.431 -175.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -61.9 -42.83 99.55 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.717 -0.614 . . . . 73.42 110.603 174.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -76.8 -25.02 52.84 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 110.144 -0.317 . . . . 73.24 110.144 -177.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.8 tp -65.11 -46.66 80.13 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.002 0.429 . . . . 73.32 110.873 173.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -75.05 -22.41 58.41 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.342 -0.39 . . . . 74.03 110.788 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.9 t -63.32 -34.42 77.65 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 122.847 0.459 . . . . 75.4 109.98 177.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 39.7 m -158.65 101.85 1.65 Allowed Pre-proline 0 C--N 1.329 -0.307 0 N-CA-C 109.233 -0.655 . . . . 75.23 109.233 176.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -76.95 42.68 1.14 Allowed 'Trans proline' 0 C--O 1.213 -0.738 0 C-N-CA 121.464 1.443 . . . . 75.03 113.658 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 46.8 p -126.18 151.44 72.02 Favored Pre-proline 0 CA--C 1.509 -0.618 0 N-CA-C 105.567 -2.012 . . . . 74.22 105.567 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -66.68 -33.74 34.27 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 114.64 -3.107 . . . . 72.22 114.619 -173.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.85 -30.33 58.88 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.918 0.866 . . . . 71.34 110.067 175.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -64.24 -43.63 96.74 Favored Glycine 0 C--O 1.217 -0.916 0 N-CA-C 110.72 -0.952 . . . . 71.23 110.72 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.42 -47.6 92.7 Favored 'Isoleucine or valine' 0 C--O 1.27 2.149 0 N-CA-C 110.046 -0.353 . . . . 73.52 110.046 176.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.84 -50.2 71.22 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.631 1.173 . . . . 75.42 112.89 177.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 22.2 ptt-85 -67.37 -33.88 76.14 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 120.029 -1.669 . . . . 74.32 110.022 -177.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.65 -41.97 71.43 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-O 121.451 0.643 . . . . 60.01 112.328 -177.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 C--N 1.318 -0.79 0 CA-C-N 116.04 -0.527 . . . . 73.15 111.773 -179.707 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.6 m . . . . . 0 N--CA 1.469 0.503 0 CA-C-O 121.516 0.674 . . . . 73.13 111.258 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -57.72 -38.77 75.86 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 115.592 -0.731 . . . . 73.11 111.204 178.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -65.44 -39.04 91.59 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 111.513 0.19 . . . . 73.24 111.513 -177.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.3 t -68.99 -42.94 82.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.202 -1.036 . . . . 75.04 108.202 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.8 mt -63.03 -40.16 96.89 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 116.021 -0.536 . . . . 71.01 110.591 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 66.7 m -58.84 -45.09 90.87 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 111.851 0.315 . . . . 72.44 111.851 176.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.56 -38.69 87.64 Favored 'General case' 0 C--O 1.24 0.585 0 C-N-CA 120.103 -0.639 . . . . 72.43 111.312 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.7 mt -67.07 -32.21 73.24 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-O 121.42 0.629 . . . . 73.04 111.815 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -61.86 -42.97 99.69 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 108.972 -0.751 . . . . 73.43 108.972 174.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.9 98.5 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 113.296 0.85 . . . . 73.42 113.296 -176.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -70.68 -25.4 62.96 Favored 'General case' 0 C--N 1.314 -0.968 0 O-C-N 121.531 -0.73 . . . . 73.41 112.627 -178.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.0 mm -86.33 -40.64 14.47 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 114.029 1.122 . . . . 75.1 114.029 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.0 mt -88.81 -19.43 25.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.043 -0.526 . . . . 72.21 111.458 -176.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.9 23.87 68.28 Favored Glycine 0 C--O 1.239 0.43 0 N-CA-C 113.659 0.224 . . . . 50.04 113.659 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.3 m -98.19 157.61 3.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-O 121.494 0.664 . . . . 75.33 111.893 -175.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -65.32 -41.03 94.41 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 115.061 -0.972 . . . . 73.53 112.726 -174.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.9 mtm180 -144.61 160.06 41.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.306 -0.861 . . . . 74.32 109.517 -177.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.7 t -134.32 125.57 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 O-C-N 124.569 1.168 . . . . 71.22 107.871 176.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.92 161.4 30.56 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 109.151 -1.579 . . . . 65.24 109.151 176.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.0 m -66.98 -15.55 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 O-C-N 121.284 -1.127 . . . . 74.15 112.043 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.4 18.65 13.59 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.186 0.517 . . . . 63.33 111.45 -178.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.85 136.82 40.17 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 120.054 -0.659 . . . . 73.22 110.04 -175.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.78 116.15 22.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.242 -0.436 . . . . 64.45 110.72 -177.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -50.93 -41.31 58.75 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.901 -0.591 . . . . 74.4 112.379 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -74.21 -28.29 61.2 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.236 0.828 . . . . 75.44 113.236 -176.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -75.8 -34.77 60.18 Favored 'General case' 0 C--O 1.211 -0.922 0 N-CA-C 108.582 -0.895 . . . . 73.5 108.582 -176.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.9 mp -75.88 24.23 0.13 Allowed 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 114.788 -1.096 . . . . 71.51 112.487 178.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.23 15.81 60.08 Favored Glycine 0 CA--C 1.524 0.642 0 CA-C-O 121.881 0.711 . . . . 65.14 113.505 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.82 151.27 51.23 Favored Glycine 0 C--O 1.226 -0.393 0 CA-C-O 122.595 1.108 . . . . 74.51 114.6 -178.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 52.0 m -143.33 159.66 41.95 Favored 'General case' 0 C--O 1.217 -0.618 0 N-CA-C 108.29 -1.004 . . . . 72.21 108.29 -178.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.6 t -60.32 -36.03 76.99 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.688 0.756 . . . . 72.23 110.151 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.14 -38.6 91.12 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 121.719 -0.613 . . . . 65.31 111.801 177.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.4 mt -72.81 -30.14 63.82 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 122.329 -0.232 . . . . 71.22 110.696 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.27 -41.71 99.05 Favored 'General case' 0 C--O 1.207 -1.158 0 CA-C-O 121.437 0.637 . . . . 44.24 109.763 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 97.4 mmm -63.89 -36.51 84.17 Favored 'General case' 0 C--O 1.243 0.736 0 O-C-N 121.572 -0.705 . . . . 75.34 110.817 177.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -67.08 -41.64 86.03 Favored 'General case' 0 C--O 1.21 -1.012 0 CA-C-O 120.966 0.412 . . . . 73.41 111.807 176.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.0 tp -59.58 -45.55 91.54 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-O 121.164 0.507 . . . . 73.3 110.217 178.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 59.1 mt -59.69 -36.67 67.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 122.161 -0.337 . . . . 74.24 110.561 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.3 -42.6 99.5 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 120.502 -0.479 . . . . 65.24 111.143 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.5 mmt85 -67.67 -31.57 71.65 Favored 'General case' 0 C--O 1.209 -1.038 0 CA-C-O 121.348 0.594 . . . . 74.54 111.934 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.37 -31.61 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 N-CA-C 109.646 -0.502 . . . . 62.01 109.646 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -67.44 -28.85 68.23 Favored 'General case' 0 CA--C 1.513 -0.468 0 O-C-N 121.548 -0.72 . . . . 73.14 112.078 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -79.86 -39.23 31.03 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 109.106 -0.701 . . . . 73.33 109.106 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -85.97 -48.49 8.64 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 115.522 1.675 . . . . 71.01 115.522 -173.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.8 mt -103.24 -6.24 22.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.528 -0.732 . . . . 74.02 110.784 -176.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.93 20.33 77.66 Favored Glycine 0 C--N 1.33 0.205 0 N-CA-C 115.97 1.148 . . . . 62.5 115.97 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.6 m -137.64 154.95 30.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.489 0.661 . . . . 74.43 110.887 -174.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -89.24 107.19 18.91 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.844 -0.798 . . . . 75.0 108.844 174.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -79.98 116.36 60.72 Favored Pre-proline 0 CA--C 1.556 1.187 0 N-CA-C 109.622 -0.51 . . . . 63.3 109.622 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -60.77 135.86 62.72 Favored 'Trans proline' 0 CA--C 1.549 1.265 0 N-CA-C 113.926 0.702 . . . . 74.11 113.926 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.1 tt -62.84 -23.2 32.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 O-C-N 121.808 -0.557 . . . . 74.3 111.157 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -60.63 -32.25 71.4 Favored 'General case' 0 C--O 1.207 -1.163 0 O-C-N 121.413 -0.804 . . . . 75.42 110.202 175.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.51 -38.86 71.09 Favored 'General case' 0 C--O 1.204 -1.337 0 N-CA-C 109.83 -0.433 . . . . 73.13 109.83 -178.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.3 mt -67.99 -41.54 82.16 Favored 'General case' 0 C--O 1.21 -1.005 0 CA-C-N 117.792 0.269 . . . . 64.32 110.882 176.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -66.88 -32.28 73.44 Favored 'General case' 0 C--O 1.211 -0.939 0 O-C-N 121.917 -0.489 . . . . 72.24 111.068 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.4 t -79.7 -25.95 41.04 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 121.458 0.647 . . . . 73.34 110.395 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.5 m -146.88 87.31 6.3 Favored Pre-proline 0 C--O 1.222 -0.37 0 CA-C-N 116.015 -0.539 . . . . 72.31 109.751 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -80.12 20.12 0.96 Allowed 'Trans proline' 0 CA--C 1.536 0.616 0 N-CA-C 116.971 1.873 . . . . 70.11 116.971 -175.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.4 p -114.37 153.7 46.5 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 107.446 -1.316 . . . . 65.1 107.446 177.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.31 -31.87 27.54 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 116.71 -1.727 . . . . 71.02 114.172 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.51 -29.32 61.36 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 121.09 -1.007 . . . . 65.43 111.621 175.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.1 -51.52 13.86 Favored Glycine 0 N--CA 1.441 -1.015 0 N-CA-C 109.58 -1.408 . . . . 75.43 109.58 -178.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.6 p -63.89 -32.93 59.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 O-C-N 122.445 -0.444 . . . . 74.14 111.558 -177.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.72 -48.46 77.7 Favored 'General case' 0 C--O 1.224 -0.261 0 N-CA-C 112.439 0.533 . . . . 65.24 112.439 176.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -76.4 -32.75 58.7 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 120.16 -0.616 . . . . 71.34 111.519 -178.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.38 -39.75 89.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.73 0.3 . . . . 71.3 110.684 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 C--O 1.215 -0.757 0 O-C-N 121.649 -0.657 . . . . 71.13 110.436 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.5 m . . . . . 0 C--O 1.224 -0.289 0 N-CA-C 111.511 0.189 . . . . 72.12 111.511 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -61.15 -40.54 94.24 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.065 0.394 . . . . 72.23 112.065 -177.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.96 -31.57 72.23 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.335 -0.853 . . . . 74.42 110.105 -177.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.0 t -68.57 -51.85 42.16 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.606 0 N-CA-C 109.528 -0.545 . . . . 73.41 109.528 -178.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -70.79 -30.7 67.24 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.955 0.724 . . . . 73.05 112.955 -177.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.7 m -63.2 -46.18 88.23 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 122.174 -0.329 . . . . 63.42 110.873 173.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.91 -35.11 79.73 Favored 'General case' 0 C--O 1.207 -1.158 0 N-CA-C 109.125 -0.694 . . . . 73.34 109.125 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mp -65.33 -33.67 76.52 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.205 -0.452 . . . . 70.11 111.279 178.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -58.02 -48.18 80.84 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 106.752 -1.573 . . . . 73.13 106.752 174.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.02 85.58 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 112.998 0.74 . . . . 71.43 112.998 -174.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -70.82 -34.2 71.47 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 121.463 0.649 . . . . 73.52 110.733 -177.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.8 mm -83.21 -37.4 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 CA-C-N 114.992 -1.004 . . . . 73.12 113.425 -175.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.8 mt -91.01 -23.15 20.47 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 123.76 0.824 . . . . 73.44 112.47 -177.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.24 33.01 37.03 Favored Glycine 0 C--O 1.229 -0.191 0 C-N-CA 120.654 -0.784 . . . . 74.4 112.586 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.8 m -110.04 152.96 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-O 121.38 0.61 . . . . 74.42 111.162 -177.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -68.32 -38.25 81.36 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.846 1.795 . . . . 73.24 115.846 -173.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -144.61 160.83 40.53 Favored 'General case' 0 C--O 1.201 -1.476 0 N-CA-C 107.014 -1.476 . . . . 75.31 107.014 -178.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.1 t -137.24 127.42 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.657 0 O-C-N 124.173 0.921 . . . . 75.21 109.616 177.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.46 166.64 31.94 Favored Glycine 0 C--N 1.346 1.091 0 N-CA-C 110.469 -1.052 . . . . 74.34 110.469 175.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -26.36 37.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 118.066 0.933 . . . . 73.44 112.567 178.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -106.39 16.62 24.5 Favored 'General case' 0 C--O 1.209 -1.074 0 CA-C-O 121.458 0.647 . . . . 73.43 112.179 -177.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.58 121.55 20.83 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.611 -0.681 . . . . 72.13 112.401 -176.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.76 125.31 28.49 Favored 'General case' 0 C--O 1.214 -0.774 0 CA-C-O 122.182 0.992 . . . . 64.04 109.414 -177.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -55.35 -38.51 68.88 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.767 -0.651 . . . . 72.1 111.431 -178.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -78.47 -22.47 47.51 Favored 'General case' 0 C--O 1.224 -0.27 0 N-CA-C 113.338 0.866 . . . . 75.14 113.338 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -78.35 -29.73 47.69 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.1 -1.074 . . . . 64.41 108.1 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 65.6 mt -76.59 14.29 0.82 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.893 -1.049 . . . . 74.1 111.238 173.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.19 2.22 74.45 Favored Glycine 0 C--O 1.215 -1.07 0 N-CA-C 116.109 1.204 . . . . 74.33 116.109 177.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.09 154.3 52.58 Favored Glycine 0 C--N 1.316 -0.561 0 CA-C-O 122.8 1.222 . . . . 61.3 114.05 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.7 m -137.62 163.67 30.67 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.834 -1.173 . . . . 75.44 107.834 -177.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 m -57.01 -36.16 70.09 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.06 0.763 . . . . 75.22 113.06 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.51 -35.4 77.43 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.368 0.604 . . . . 72.41 110.806 177.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.3 tp -72.14 -34.35 68.47 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.676 -0.49 . . . . 74.35 109.676 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.41 -30.8 65.25 Favored 'General case' 0 C--O 1.199 -1.594 0 CA-C-O 121.138 0.494 . . . . 73.14 112.122 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 91.4 mtp -64.26 -31.43 72.63 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 121.887 -0.508 . . . . 71.54 111.147 176.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -75.06 -33.73 61.74 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 121.244 -0.91 . . . . 75.31 109.185 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 53.8 tp -63.15 -45.79 90.25 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 108.592 -0.892 . . . . 73.44 108.592 176.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.35 -43.76 97.23 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 N-CA-C 109.347 -0.612 . . . . 73.12 109.347 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.38 -43.47 88.47 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 121.075 -0.25 . . . . 73.01 110.831 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.55 -34.08 77.1 Favored 'General case' 0 C--O 1.204 -1.297 0 N-CA-C 112.298 0.481 . . . . 75.54 112.298 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.2 mt -66.32 -30.38 49.66 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.246 0 N-CA-C 106.921 -1.511 . . . . 64.02 106.921 -177.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.435 ' HE ' ' CG ' ' A' ' 58' ' ' ASP . 4.5 mtp-105 -65.68 -31.38 72.36 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.237 -0.915 . . . . 72.15 111.214 178.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -78.66 -36.5 43.72 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.5 -1.296 . . . . 73.31 107.5 -174.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -87.56 -41.92 13.11 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 114.358 1.244 . . . . 73.33 114.358 -175.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 67.5 mt -112.62 -5.67 13.97 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 123.217 0.607 . . . . 75.1 110.984 -171.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.69 18.74 77.53 Favored Glycine 0 N--CA 1.466 0.682 0 N-CA-C 115.619 1.008 . . . . 72.43 115.619 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.9 m -135.25 146.71 29.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-N 118.22 1.01 . . . . 70.24 112.26 -177.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.435 ' CG ' ' HE ' ' A' ' 52' ' ' ARG . 2.2 m-20 -79.21 108.43 12.7 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 106.944 -1.502 . . . . 72.2 106.944 172.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -62.42 122.16 71.58 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 109.102 -0.703 . . . . 74.31 109.102 -178.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.02 118.43 5.31 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 120.174 0.582 . . . . 74.24 111.77 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.7 tt -59.56 -25.82 32.67 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 O-C-N 121.803 -0.561 . . . . 71.34 111.731 -177.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 46.8 ttm-85 -63.84 -36.81 85.13 Favored 'General case' 0 C--O 1.214 -0.782 0 O-C-N 121.417 -0.802 . . . . 74.52 111.521 175.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -70.33 -37.22 74.64 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.017 -0.364 . . . . 74.33 110.017 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 mt -62.75 -47.41 83.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.266 -0.425 . . . . 74.51 111.029 176.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -73.47 -25.03 60.29 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.609 0.596 . . . . 74.14 112.609 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.2 t -69.53 -32.86 71.94 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.238 0.542 . . . . 63.21 110.547 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.7 m -149.84 87.92 4.98 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.72 -0.474 . . . . 75.52 109.72 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -75.51 40.22 0.68 Allowed 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 122.126 1.884 . . . . 73.05 116.8 -174.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.7 p -127.11 153.21 76.65 Favored Pre-proline 0 CA--C 1.507 -0.704 0 N-CA-C 105.623 -1.991 . . . . 63.1 105.623 175.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.59 -39.45 44.23 Favored 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 115.778 -2.348 . . . . 74.41 115.001 -175.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.98 -31.81 68.47 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 122.324 1.059 . . . . 71.53 110.133 177.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.63 -46.5 92.02 Favored Glycine 0 C--O 1.216 -0.989 0 N-CA-C 109.683 -1.367 . . . . 65.31 109.683 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.0 t -63.93 -44.26 97.92 Favored 'Isoleucine or valine' 0 C--O 1.29 3.235 0 CA-C-N 118.186 0.993 . . . . 74.43 110.196 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.14 -49.6 75.42 Favored 'General case' 0 C--O 1.215 -0.725 0 O-C-N 120.318 -1.489 . . . . 75.52 111.499 178.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 38.3 ptt85 -71.92 -29.97 64.86 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.303 -0.873 . . . . 74.23 110.749 -178.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.38 -44.05 76.0 Favored 'General case' 0 CA--C 1.507 -0.685 0 C-N-CA 120.519 -0.472 . . . . 63.11 111.946 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.6 pp . . . . . 0 C--N 1.323 -0.571 0 N-CA-C 109.714 -0.476 . . . . 74.31 109.714 179.343 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.233 0 N-CA-C 112.151 0.426 . . . . 75.31 112.151 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -63.04 -42.36 99.72 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-O 120.707 0.289 . . . . 72.4 111.406 -170.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -69.16 -26.33 64.81 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 113.214 0.82 . . . . 71.12 113.214 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.6 t -71.12 -45.68 70.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 106.385 -1.709 . . . . 75.21 106.385 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.7 mt -66.39 -37.3 84.94 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.54 -0.755 . . . . 75.53 111.623 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.9 m -56.65 -44.13 81.03 Favored 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 120.864 -0.334 . . . . 75.5 110.131 174.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.06 -38.01 81.94 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 121.252 -0.905 . . . . 63.42 111.822 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.5 mt -64.1 -33.56 76.04 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 122.109 -0.369 . . . . 71.44 111.316 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -64.73 -47.48 78.12 Favored 'General case' 0 C--O 1.21 -1.013 0 N-CA-C 106.548 -1.649 . . . . 65.33 106.548 177.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.81 -44.08 86.11 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 111.849 0.315 . . . . 65.14 111.849 -177.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -58.21 -44.04 87.96 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 122.019 0.914 . . . . 75.44 112.046 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -84.06 -40.29 15.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 114.938 -1.028 . . . . 73.53 111.432 -171.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.9 mt -81.47 -22.37 38.13 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 122.566 0.347 . . . . 63.41 111.293 -175.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.59 25.4 70.16 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.445 -0.884 . . . . 71.34 112.528 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.7 m -100.02 151.72 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.666 0.746 . . . . 70.42 109.581 -178.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -67.28 -39.89 86.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.992 -0.549 . . . . 74.44 112.435 -174.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.8 mmt-85 -141.12 166.95 23.38 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-O 121.133 0.492 . . . . 74.3 111.08 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.7 t -145.3 127.41 9.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-N 114.253 -1.34 . . . . 72.32 108.35 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.5 170.06 45.99 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 109.484 -1.446 . . . . 72.14 109.484 175.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -74.88 -24.11 17.9 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.432 0 CA-C-O 122.992 1.377 . . . . 75.45 111.509 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -107.2 16.53 23.97 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 113.51 -1.677 . . . . 75.12 110.835 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.24 129.77 35.47 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.192 0.441 . . . . 73.42 112.192 -172.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.41 121.82 25.63 Favored 'General case' 0 C--O 1.212 -0.884 0 CA-C-O 121.811 0.815 . . . . 51.13 110.594 -177.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -51.76 -39.89 59.33 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.185 -0.916 . . . . 73.35 111.977 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -81.9 -20.26 39.14 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.269 0.84 . . . . 74.51 113.269 -177.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -77.18 -31.76 55.65 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 106.971 -1.492 . . . . 74.15 106.971 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.0 mt -76.96 16.64 0.52 Allowed 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 114.321 -1.309 . . . . 74.53 112.565 174.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.77 4.82 69.32 Favored Glycine 0 C--O 1.237 0.326 0 N-CA-C 115.487 0.955 . . . . 74.31 115.487 177.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.87 158.63 53.41 Favored Glycine 0 C--O 1.217 -0.93 0 CA-C-O 122.252 0.918 . . . . 71.12 114.177 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.3 t -144.85 167.19 23.2 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 114.881 -0.659 . . . . 74.41 109.284 -178.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.0 m -58.39 -30.68 67.01 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.138 0.494 . . . . 72.21 111.46 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.49 -39.81 92.35 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.028 -0.533 . . . . 61.25 110.312 177.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.3 mt -78.29 -25.65 46.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.599 -0.273 . . . . 74.2 111.244 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.61 -32.06 70.06 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 122.135 -0.353 . . . . 73.43 110.357 175.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.8 mmt -66.13 -32.03 73.24 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 120.891 0.377 . . . . 74.45 111.19 177.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -72.47 -37.23 68.54 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.49 -0.93 . . . . 74.44 108.49 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.0 tp -67.27 -44.45 79.32 Favored 'General case' 0 C--N 1.318 -0.79 0 O-C-N 124.536 1.147 . . . . 74.32 108.107 -178.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.7 mt -59.76 -38.29 75.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 109.27 -0.641 . . . . 75.45 109.27 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.99 -45.54 81.25 Favored 'General case' 0 C--O 1.199 -1.555 0 O-C-N 122.017 -0.427 . . . . 74.44 111.513 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -67.88 -33.5 74.85 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-O 120.915 0.388 . . . . 74.14 111.716 -177.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.4 mt -55.16 -36.59 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-O 121.278 0.561 . . . . 74.04 110.021 177.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -64.58 -30.37 71.4 Favored 'General case' 0 C--O 1.209 -1.032 0 O-C-N 121.809 -0.557 . . . . 64.43 112.144 -177.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -82.06 -38.58 24.7 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 107.575 -1.268 . . . . 73.31 107.575 -175.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -86.1 -36.82 19.38 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 114.514 1.302 . . . . 72.23 114.514 -173.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.1 mt -113.92 -6.73 13.19 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.861 -0.524 . . . . 74.41 109.904 -173.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.16 21.23 77.03 Favored Glycine 0 C--N 1.334 0.431 0 N-CA-C 116.15 1.22 . . . . 70.14 116.15 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.1 m -140.33 163.5 23.3 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.615 0 CA-C-N 117.713 0.756 . . . . 74.11 111.749 -175.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -86.65 141.89 28.63 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 107.713 -1.218 . . . . 72.35 107.713 172.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.0 tp -104.99 120.39 50.1 Favored Pre-proline 0 C--N 1.321 -0.642 0 O-C-N 121.998 -0.439 . . . . 75.53 110.246 174.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.88 136.33 72.89 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 N-CA-C 110.499 -0.616 . . . . 61.42 110.499 170.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.3 tt -65.72 -21.99 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 O-C-N 121.222 -0.924 . . . . 74.45 110.733 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.6 ttt85 -62.5 -32.16 73.02 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 121.749 -0.594 . . . . 75.31 110.543 176.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -45.13 94.88 Favored 'General case' 0 C--O 1.219 -0.548 0 O-C-N 123.266 0.354 . . . . 65.23 110.218 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.7 mt -67.15 -41.42 86.07 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 112.01 0.374 . . . . 73.4 112.01 178.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -69.76 -28.11 65.49 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.962 -0.695 . . . . 74.41 112.295 -178.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.3 m -82.92 -19.89 36.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.125 0.488 . . . . 72.34 110.762 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.6 m -151.36 85.25 5.0 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 109.717 -0.475 . . . . 73.12 109.717 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -78.66 18.26 1.0 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 N-CA-C 115.599 1.346 . . . . 73.01 115.599 -174.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.3 p -113.77 154.63 45.77 Favored Pre-proline 0 C--O 1.242 0.664 0 N-CA-C 108.694 -0.854 . . . . 75.25 108.694 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -68.89 -32.29 22.74 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 115.966 -2.223 . . . . 62.52 113.264 -175.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.11 -35.52 64.15 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 121.443 -0.785 . . . . 73.23 110.647 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -64.79 -50.73 56.96 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.496 -0.859 . . . . 52.21 110.956 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.3 p -65.44 -32.72 59.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 122.831 -0.217 . . . . 72.23 110.666 -177.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.11 -46.73 87.75 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 122.276 1.036 . . . . 62.25 111.571 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -75.05 -32.03 61.45 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 115.195 -0.911 . . . . 72.41 109.74 -177.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.25 -41.45 73.51 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.578 0.585 . . . . 53.4 112.578 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.0 pp . . . . . 0 C--N 1.321 -0.637 0 O-C-N 122.329 -0.232 . . . . 75.13 111.109 -177.716 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.221 -0.417 0 N-CA-C 112.673 0.62 . . . . 63.42 112.673 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -63.36 -36.79 84.88 Favored 'General case' 0 CA--C 1.515 -0.368 0 O-C-N 121.832 -0.543 . . . . 75.43 110.154 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -66.54 -39.9 88.82 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.025 -0.534 . . . . 74.11 111.077 -178.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.5 t -65.59 -52.77 46.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 N-CA-C 107.107 -1.442 . . . . 63.14 107.107 178.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.4 mt -58.28 -41.9 85.38 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.626 0.602 . . . . 73.54 112.626 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.66 -44.24 90.11 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 112.327 0.492 . . . . 75.2 112.327 175.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.2 -40.77 77.84 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.509 -0.476 . . . . 65.55 111.346 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.5 mt -67.15 -31.04 71.19 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 120.353 -0.539 . . . . 64.12 111.396 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -57.67 -45.68 85.26 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 108.08 -1.081 . . . . 74.3 108.08 173.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.54 93.33 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 112.557 0.577 . . . . 65.22 112.557 -177.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -65.07 -36.72 85.24 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 121.775 0.798 . . . . 74.5 112.445 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.6 mm -86.43 -37.86 11.94 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 N-CA-C 113.23 0.826 . . . . 74.5 113.23 -173.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.9 mt -87.89 -21.54 24.91 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.206 -0.452 . . . . 63.31 111.781 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.93 30.56 59.18 Favored Glycine 0 C--O 1.237 0.301 0 C-N-CA 121.117 -0.563 . . . . 71.21 112.269 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -104.35 151.27 6.96 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 CA-C-O 121.839 0.828 . . . . 72.24 110.783 -178.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -63.01 -30.55 71.69 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 115.849 1.796 . . . . 70.3 115.849 -173.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -154.67 162.47 41.11 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 107.914 -1.143 . . . . 74.54 107.914 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.4 t -136.94 134.43 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 N-CA-C 107.874 -1.158 . . . . 74.53 107.874 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.01 164.07 33.66 Favored Glycine 0 N--CA 1.465 0.602 0 N-CA-C 108.591 -1.803 . . . . 74.11 108.591 173.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.5 m -69.69 -21.44 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 O-C-N 120.541 -1.564 . . . . 72.42 110.823 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -109.6 17.28 21.5 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-O 121.196 0.522 . . . . 72.25 110.049 -176.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.96 125.14 30.42 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.966 -0.753 . . . . 75.33 108.966 -173.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.05 130.87 35.98 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.107 0.956 . . . . 60.32 111.359 -174.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -54.42 -40.39 68.25 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.103 -0.953 . . . . 74.32 111.728 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -79.34 -20.28 48.23 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.145 0.794 . . . . 72.32 113.145 -178.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -76.09 -35.33 59.41 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 107.053 -1.462 . . . . 74.4 107.053 -179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.1 mt -78.94 15.55 1.08 Allowed 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 113.987 -1.46 . . . . 73.01 112.116 176.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.32 12.56 59.73 Favored Glycine 0 CA--C 1.519 0.332 0 N-CA-C 115.682 1.033 . . . . 73.02 115.682 176.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.63 165.44 54.36 Favored Glycine 0 C--N 1.319 -0.379 0 CA-C-O 122.332 0.962 . . . . 72.3 114.698 -178.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 85.3 p -150.15 165.89 31.49 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.657 -0.868 . . . . 70.01 108.657 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 m -58.4 -34.71 71.03 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-O 121.606 0.717 . . . . 73.23 111.028 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.17 -44.1 76.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.663 0.744 . . . . 55.44 111.353 178.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.3 tp -66.24 -36.72 83.74 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.682 -0.69 . . . . 70.13 109.581 -179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.3 -29.24 63.74 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-N 115.554 -0.748 . . . . 61.24 112.498 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 91.8 mtp -59.43 -35.28 73.72 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 121.917 -0.489 . . . . 75.44 110.801 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.87 -34.55 62.27 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-O 121.223 0.535 . . . . 73.45 110.092 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.3 tp -64.04 -45.54 88.41 Favored 'General case' 0 C--O 1.212 -0.876 0 N-CA-C 107.647 -1.242 . . . . 74.11 107.647 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.17 -41.11 88.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.567 -0.531 . . . . 75.12 109.567 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.0 -42.55 99.88 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.574 -0.285 . . . . 71.52 110.454 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -63.34 -37.96 89.3 Favored 'General case' 0 C--O 1.185 -2.306 0 CA-C-O 121.997 0.903 . . . . 74.12 110.682 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.4 mt -61.44 -30.84 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.387 -3.58 0 CA-C-O 122.878 1.323 . . . . 73.5 110.393 -176.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -65.5 -29.24 69.86 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 115.244 -0.889 . . . . 74.45 113.149 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -77.59 -37.99 49.21 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 108.582 -0.896 . . . . 75.33 108.582 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -91.52 -41.36 10.85 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 115.056 1.502 . . . . 74.32 115.056 -171.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.7 mt -103.22 -2.78 26.69 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 121.116 -0.99 . . . . 75.0 109.484 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.53 16.95 70.24 Favored Glycine 0 C--N 1.335 0.493 0 N-CA-C 116.715 1.446 . . . . 55.44 116.715 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.4 m -139.69 156.51 26.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.249 0.547 . . . . 75.2 110.971 -174.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -86.37 110.44 19.69 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.453 -0.573 . . . . 62.03 109.453 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -65.76 120.08 65.89 Favored Pre-proline 0 CA--C 1.543 0.71 0 CA-C-O 121.192 0.52 . . . . 74.24 111.454 -175.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -62.78 116.42 3.53 Favored 'Trans proline' 0 C--N 1.346 0.427 0 N-CA-C 112.751 0.25 . . . . 72.33 112.751 177.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.0 tt -56.46 -25.96 21.81 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 N-CA-C 112.741 0.645 . . . . 73.21 112.741 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -60.85 -42.47 97.87 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.041 0.756 . . . . 74.43 113.041 172.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -68.88 -39.13 79.95 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.654 -0.869 . . . . 72.45 108.654 -178.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -44.92 93.06 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-N 116.287 -0.415 . . . . 61.43 111.174 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -75.27 -25.13 57.77 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 121.016 -1.053 . . . . 72.33 112.878 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 59.6 m -75.38 -26.09 58.21 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.815 0.817 . . . . 75.21 110.657 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.7 m -147.03 79.94 9.71 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 115.327 -0.851 . . . . 74.11 109.957 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -77.65 40.83 0.89 Allowed 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.397 2.065 . . . . 72.34 116.945 -173.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.6 p -124.95 157.41 66.74 Favored Pre-proline 0 N--CA 1.476 0.829 0 N-CA-C 104.562 -2.384 . . . . 72.35 104.562 175.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -67.7 -34.0 26.13 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 114.71 -3.06 . . . . 72.44 113.5 -176.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.99 -35.58 69.53 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 120.779 -1.201 . . . . 73.5 110.245 174.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.42 -46.49 94.25 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 109.852 -1.299 . . . . 73.03 109.852 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 66.4 t -60.72 -40.45 84.92 Favored 'Isoleucine or valine' 0 C--O 1.273 2.293 0 CA-C-N 117.787 0.793 . . . . 75.5 109.535 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.39 98.78 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 114.014 1.116 . . . . 75.34 114.014 178.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -74.24 -35.49 63.84 Favored 'General case' 0 C--N 1.281 -2.386 0 N-CA-C 114.988 1.477 . . . . 75.34 114.988 178.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.03 -45.59 91.57 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 109.927 -0.398 . . . . 72.4 109.927 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 CA--C 1.54 0.56 0 C-N-CA 120.994 -0.283 . . . . 74.43 110.561 -178.937 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.22 -0.47 0 N-CA-C 111.693 0.257 . . . . 65.45 111.693 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -64.19 -35.56 81.2 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.898 -0.502 . . . . 74.03 111.318 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -61.49 -44.27 97.39 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.536 0.684 . . . . 74.41 110.881 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.1 t -65.4 -50.13 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.845 0 N-CA-C 107.095 -1.446 . . . . 73.44 107.095 -176.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.6 mt -61.22 -40.1 92.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.189 -0.46 . . . . 74.11 111.204 -177.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.1 m -59.46 -43.18 93.25 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.731 -0.605 . . . . 75.14 112.275 175.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.25 -37.56 74.97 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.396 0.517 . . . . 65.51 112.396 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.0 mt -63.41 -34.83 78.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.052 0.453 . . . . 73.44 111.305 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -61.11 -46.8 89.14 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 109.446 -0.576 . . . . 73.43 109.446 176.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.7 91.84 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 113.461 0.911 . . . . 71.32 113.461 -175.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -60.33 -47.97 83.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.867 0.842 . . . . 75.25 110.822 -177.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.7 mt -83.2 -38.15 14.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.211 -0.904 . . . . 73.15 112.793 -169.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.2 mt -81.09 -20.05 42.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.562 -0.29 . . . . 75.44 110.874 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.61 29.49 72.84 Favored Glycine 0 N--CA 1.461 0.302 0 C-N-CA 121.245 -0.502 . . . . 73.3 112.935 178.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.5 m -97.95 155.27 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-O 121.507 0.67 . . . . 73.32 110.726 -177.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -62.95 -37.46 87.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.936 -1.029 . . . . 75.04 112.33 -174.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -153.4 161.67 42.06 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.963 -0.754 . . . . 71.53 108.963 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.9 t -130.96 127.9 61.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 N-CA-C 107.892 -1.151 . . . . 54.15 107.892 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.23 163.12 35.69 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 108.727 -1.749 . . . . 54.4 108.727 173.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.38 -25.55 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 O-C-N 120.633 -1.51 . . . . 74.43 110.787 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -104.6 14.62 29.55 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.493 -0.776 . . . . 63.25 111.451 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.45 126.0 30.65 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 109.416 -0.586 . . . . 75.21 109.416 -174.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.94 135.3 36.91 Favored 'General case' 0 C--O 1.213 -0.816 0 O-C-N 121.306 -0.871 . . . . 70.25 111.026 -176.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -54.13 -35.44 62.19 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.26 -0.882 . . . . 73.04 111.726 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -85.09 -18.38 34.45 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.851 0.686 . . . . 62.41 112.851 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -78.31 -34.59 48.57 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 106.224 -1.769 . . . . 75.53 106.224 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.1 mt -77.42 12.83 1.39 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 113.731 -1.577 . . . . 74.14 111.461 174.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.85 5.98 67.83 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 117.908 1.923 . . . . 75.11 117.908 174.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.09 109.85 3.49 Favored Glycine 0 N--CA 1.463 0.499 0 N-CA-C 118.354 2.102 . . . . 74.43 118.354 -175.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.8 m -78.16 161.93 26.99 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 122.082 -0.658 . . . . 70.43 111.515 175.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -57.24 -25.86 59.82 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 114.759 1.392 . . . . 64.3 114.759 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.57 -32.9 70.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.433 -0.792 . . . . 73.44 110.75 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.8 tp -73.71 -30.0 62.59 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.77 -0.65 . . . . 75.12 109.847 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.42 -31.19 61.67 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.012 0.745 . . . . 73.45 113.012 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 19.3 mmt -62.08 -29.19 70.14 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-O 121.649 0.738 . . . . 73.35 111.756 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -76.99 -32.44 57.21 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.027 -1.101 . . . . 74.22 108.027 -177.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 66.5 tp -69.38 -43.47 73.48 Favored 'General case' 0 C--O 1.213 -0.855 0 N-CA-C 108.752 -0.832 . . . . 73.42 108.752 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.6 mt -61.56 -39.3 82.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.358 -0.608 . . . . 75.2 109.358 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.52 -42.22 95.91 Favored 'General case' 0 C--N 1.313 -0.993 0 O-C-N 122.322 -0.236 . . . . 63.41 111.275 176.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -36.89 82.41 Favored 'General case' 0 C--O 1.191 -2.002 0 CA-C-O 121.842 0.829 . . . . 72.2 111.922 177.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 57.9 mt -60.51 -31.18 48.19 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.751 0 CA-C-O 122.96 1.362 . . . . 74.12 110.874 -176.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.4 mtt-85 -65.16 -31.35 72.5 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 113.362 0.875 . . . . 75.42 113.362 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -75.71 -37.72 59.2 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 109.373 -0.602 . . . . 73.31 109.373 -176.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -86.76 -50.62 6.63 Favored 'General case' 0 C--O 1.246 0.891 0 N-CA-C 114.332 1.234 . . . . 72.42 114.332 -175.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 47.9 mt -100.34 -3.62 30.83 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.667 -1.271 . . . . 73.55 110.865 -172.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.49 18.7 73.87 Favored Glycine 0 CA--C 1.503 -0.666 0 N-CA-C 116.55 1.38 . . . . 72.41 116.55 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.4 m -142.59 159.84 19.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 117.513 0.656 . . . . 72.13 109.249 -173.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -98.25 107.22 19.63 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 122.24 1.019 . . . . 74.41 109.431 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 tp -65.36 125.77 90.13 Favored Pre-proline 0 C--O 1.237 0.436 0 C-N-CA 119.712 -0.795 . . . . 64.23 110.342 -178.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -60.11 137.07 73.19 Favored 'Trans proline' 0 N--CA 1.464 -0.211 0 C-N-CA 118.508 -0.528 . . . . 72.44 111.609 173.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.1 tt -64.25 -20.91 27.86 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 CA-C-O 121.888 0.852 . . . . 74.32 108.922 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -64.66 -37.98 89.42 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.534 -0.729 . . . . 74.03 110.892 174.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -42.67 95.25 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 108.494 -0.928 . . . . 72.5 108.494 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.3 tp -63.04 -47.56 82.48 Favored 'General case' 0 C--O 1.209 -1.03 0 CA-C-N 115.943 -0.571 . . . . 74.22 110.996 178.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 -73.98 -20.01 60.48 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.84 -0.537 . . . . 75.55 111.924 -174.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 70.7 m -72.21 -28.95 63.51 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.593 0.711 . . . . 73.1 109.997 178.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.2 p -157.75 90.44 2.33 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.396 -0.82 . . . . 62.54 109.059 -177.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -79.11 34.88 0.53 Allowed 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 121.961 1.774 . . . . 74.4 115.891 -173.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.5 p -122.58 149.56 55.89 Favored Pre-proline 0 CA--C 1.497 -1.095 0 N-CA-C 105.233 -2.136 . . . . 71.43 105.233 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -58.28 -41.23 68.57 Favored 'Trans proline' 0 CA--C 1.546 1.083 0 C-N-CA 117.27 -1.353 . . . . 74.43 115.017 -178.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.12 -35.71 78.56 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 120.852 -1.155 . . . . 74.22 110.614 176.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.39 -48.49 84.89 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.825 -0.91 . . . . 64.53 110.825 178.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 76.4 t -58.32 -42.12 83.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 O-C-N 122.305 -0.526 . . . . 73.31 110.038 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.88 -44.49 86.71 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-O 120.647 0.261 . . . . 71.42 111.515 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 53.7 mtp85 -69.6 -38.17 77.17 Favored 'General case' 0 C--O 1.245 0.864 0 C-N-CA 120.105 -0.638 . . . . 74.12 111.767 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.97 -40.53 87.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.783 0.325 . . . . 65.34 111.431 -176.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 C--N 1.316 -0.886 0 N-CA-C 109.636 -0.505 . . . . 74.33 109.636 179.882 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.467 0.399 0 N-CA-C 111.705 0.261 . . . . 71.41 111.705 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -57.31 -39.18 75.28 Favored 'General case' 0 C--O 1.214 -0.801 0 C-N-CA 120.854 -0.339 . . . . 74.4 111.105 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -65.34 -42.84 92.48 Favored 'General case' 0 CA--C 1.5 -0.951 0 CA-C-N 115.529 -0.76 . . . . 75.24 112.182 -174.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.5 t -66.77 -45.43 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 N-CA-C 108.324 -0.991 . . . . 75.41 108.324 -177.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.86 -38.17 90.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.528 0.68 . . . . 71.23 112.076 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 47.2 m -59.89 -50.19 74.76 Favored 'General case' 0 C--O 1.21 -1.005 0 CA-C-N 115.929 -0.578 . . . . 74.32 109.795 175.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.85 -33.81 76.89 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 118.039 -1.464 . . . . 51.41 110.374 -175.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mp -68.32 -32.43 72.56 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 123.747 0.819 . . . . 74.45 111.567 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -62.64 -49.26 75.89 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 107.806 -1.183 . . . . 75.45 107.806 175.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.86 -32.03 73.19 Favored 'General case' 0 CA--C 1.563 1.459 0 C-N-CA 119.468 -0.893 . . . . 71.04 111.03 -176.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -67.31 -37.65 83.68 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 125.072 1.482 . . . . 75.21 110.32 -177.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.5 mm -85.33 -39.39 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.828 0 CA-C-N 114.199 -1.364 . . . . 74.21 112.711 -173.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.5 mt -80.05 -23.3 41.49 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 114.906 -1.043 . . . . 74.21 111.761 -177.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.07 33.53 44.98 Favored Glycine 0 C--O 1.228 -0.223 0 C-N-CA 120.546 -0.835 . . . . 54.34 112.858 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.2 m -111.27 154.27 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 109.275 -0.639 . . . . 73.14 109.275 -178.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.44 -38.32 87.14 Favored 'General case' 0 C--O 1.269 2.113 0 CA-C-O 120.911 0.386 . . . . 71.34 111.771 -174.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -149.51 164.83 33.98 Favored 'General case' 0 CA--C 1.486 -1.512 0 N-CA-C 105.338 -2.097 . . . . 74.24 105.338 -176.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 12.1 p -154.26 139.45 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.394 -3.248 0 N-CA-C 105.786 -1.931 . . . . 72.31 105.786 -173.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.2 170.13 50.56 Favored Glycine 0 C--O 1.221 -0.701 0 O-C-N 120.857 -1.152 . . . . 72.03 112.718 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -76.29 -17.71 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-O 122.965 1.364 . . . . 73.34 108.333 179.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -117.39 18.24 14.42 Favored 'General case' 0 C--O 1.194 -1.854 0 CA-C-N 114.769 -1.105 . . . . 75.43 110.263 -177.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -74.54 128.94 36.79 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.732 -0.667 . . . . 75.15 111.37 -174.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.16 119.05 21.72 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.379 -0.6 . . . . 64.34 109.379 -178.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -47.79 -41.63 23.94 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.789 0.662 . . . . 74.42 112.789 -178.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -73.54 -18.47 61.08 Favored 'General case' 0 C--O 1.221 -0.416 0 N-CA-C 115.098 1.518 . . . . 72.1 115.098 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -77.47 -26.51 51.43 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 108.748 -0.834 . . . . 62.02 108.748 -176.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -86.21 19.39 2.71 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.992 -0.549 . . . . 75.42 110.095 173.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.74 5.67 86.24 Favored Glycine 0 C--O 1.238 0.371 0 O-C-N 121.912 -0.492 . . . . 73.5 113.591 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.3 130.92 49.47 Favored Glycine 0 C--O 1.226 -0.386 0 CA-C-O 122.263 0.924 . . . . 54.11 112.635 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.8 m -128.48 169.64 14.1 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.365 -0.976 . . . . 54.53 108.365 -176.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.7 m -56.79 -31.76 64.97 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.528 0.936 . . . . 61.53 113.528 -178.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.12 -42.21 89.5 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.115 0.483 . . . . 44.02 110.491 176.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.4 mt -70.52 -29.83 66.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.148 -0.315 . . . . 74.44 110.148 177.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.19 -36.26 83.04 Favored 'General case' 0 C--O 1.2 -1.55 0 CA-C-O 121.196 0.522 . . . . 65.34 110.557 176.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.5 mmt -68.29 -38.17 81.4 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.659 -0.651 . . . . 71.14 110.473 176.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.1 -37.53 87.77 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 121.589 -0.694 . . . . 74.35 110.53 175.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.5 tp -62.28 -48.06 81.59 Favored 'General case' 0 C--O 1.209 -1.079 0 CA-C-O 121.263 0.554 . . . . 74.12 110.003 178.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 56.1 mt -59.79 -39.1 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.377 -0.374 . . . . 73.42 110.194 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.94 -41.57 92.13 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.509 -0.477 . . . . 70.23 109.96 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.2 tpt85 -71.71 -36.32 70.48 Favored 'General case' 0 C--O 1.255 1.346 0 CA-C-O 118.801 -0.619 . . . . 74.45 112.44 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.8 mt -58.85 -35.42 56.06 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.519 0 CA-C-N 119.204 0.911 . . . . 73.03 110.527 175.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -63.36 -31.94 73.23 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 122.001 -0.437 . . . . 74.33 111.765 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -74.68 -32.42 62.21 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 122.264 1.03 . . . . 64.33 108.723 -176.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -89.9 -52.68 4.85 Favored 'General case' 0 C--O 1.212 -0.885 0 N-CA-C 115.824 1.787 . . . . 74.25 115.824 -174.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 40.8 mt -96.62 -8.71 30.97 Favored 'General case' 0 C--O 1.211 -0.947 0 O-C-N 118.945 -2.347 . . . . 75.51 109.423 -172.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.85 23.49 77.9 Favored Glycine 0 N--CA 1.448 -0.534 0 O-C-N 125.645 1.841 . . . . 74.1 114.396 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.9 p -143.65 141.99 25.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 113.048 0.759 . . . . 70.43 113.048 -172.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.96 89.69 1.92 Allowed 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 109.3 -0.63 . . . . 73.45 109.3 175.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -69.13 125.06 91.66 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 108.566 -0.902 . . . . 74.53 108.566 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -66.49 141.56 61.75 Favored 'Trans proline' 0 CA--C 1.517 -0.346 0 C-N-CA 120.799 0.999 . . . . 73.13 113.685 -177.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.9 tt -63.98 -21.77 29.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 121.452 -0.78 . . . . 71.4 109.194 173.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 32.7 mtm180 -60.47 -37.89 82.45 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.895 -0.503 . . . . 75.11 111.114 175.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -40.02 82.75 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 108.993 -0.743 . . . . 72.04 108.993 -177.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 35.5 mt -65.03 -42.66 94.16 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 116.27 -0.423 . . . . 71.23 111.168 178.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -70.08 -29.76 66.82 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.669 -0.413 . . . . 73.22 111.831 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.7 m -71.74 -30.46 65.64 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.058 0.456 . . . . 74.32 111.173 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.8 m -154.83 95.04 2.65 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 109.189 -0.671 . . . . 73.24 109.189 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -78.83 32.89 0.46 Allowed 'Trans proline' 0 CA--C 1.536 0.622 0 N-CA-C 116.03 1.512 . . . . 52.34 116.03 -174.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.4 p -125.26 153.14 71.88 Favored Pre-proline 0 N--CA 1.474 0.755 0 N-CA-C 107.192 -1.41 . . . . 75.41 107.192 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -67.71 -33.06 28.82 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 114.473 -3.218 . . . . 75.41 113.932 -173.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.87 -29.48 58.54 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.652 0.739 . . . . 74.44 109.596 174.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.3 -41.32 94.69 Favored Glycine 0 C--O 1.225 -0.407 0 N-CA-C 111.015 -0.834 . . . . 52.34 111.015 178.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.3 t -59.89 -42.25 88.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 N-CA-C 110.055 -0.35 . . . . 75.23 110.055 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.33 -41.27 79.67 Favored 'General case' 0 CA--C 1.564 1.507 0 CA-C-O 121.658 0.742 . . . . 72.33 111.088 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -72.34 -38.28 68.66 Favored 'General case' 0 C--O 1.223 -0.333 0 O-C-N 120.678 -1.264 . . . . 73.33 110.497 177.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.63 -41.76 87.84 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.928 0.344 . . . . 74.12 111.928 -176.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.2 pp . . . . . 0 C--N 1.321 -0.659 0 N-CA-C 110.234 -0.284 . . . . 74.03 110.234 178.481 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.5 m . . . . . 0 CA--C 1.532 0.273 0 N-CA-C 112.333 0.494 . . . . 64.13 112.333 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.53 -44.1 84.87 Favored 'General case' 0 C--O 1.214 -0.813 0 N-CA-C 112.107 0.41 . . . . 73.15 112.107 -177.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -62.56 -33.46 74.98 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.48 0.548 . . . . 72.34 112.48 -176.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.2 t -72.44 -45.05 61.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 108.295 -1.002 . . . . 74.25 108.295 -178.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.2 mt -66.83 -40.87 88.15 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-N 115.418 -0.81 . . . . 70.21 111.897 -178.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t -62.4 -46.62 87.77 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.101 -1.074 . . . . 64.1 108.101 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.09 -41.82 97.17 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 119.38 -0.928 . . . . 73.35 111.115 -179.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 mp -61.0 -32.09 71.68 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.25 0.463 . . . . 74.24 112.25 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -63.06 -53.28 56.18 Favored 'General case' 0 C--O 1.21 -1.014 0 N-CA-C 108.943 -0.762 . . . . 75.45 108.943 177.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.02 -46.65 87.68 Favored 'General case' 0 CA--C 1.514 -0.41 0 O-C-N 122.381 -0.199 . . . . 73.25 111.371 -175.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.65 -36.48 83.96 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 113.115 0.783 . . . . 73.2 113.115 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.5 mt -83.29 -37.73 13.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 O-C-N 121.893 -0.505 . . . . 73.1 111.739 -178.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.8 mt -75.93 -25.08 55.63 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 122.341 0.256 . . . . 74.42 110.91 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.51 31.84 49.13 Favored Glycine 0 C--O 1.223 -0.559 0 C-N-CA 121.256 -0.497 . . . . 70.21 112.218 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.9 m -108.22 152.16 10.15 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.921 0 N-CA-C 109.644 -0.502 . . . . 75.01 109.644 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -62.15 -43.36 99.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.429 0.633 . . . . 74.41 112.421 -175.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.7 mtm180 -146.1 162.96 36.79 Favored 'General case' 0 CA--C 1.503 -0.827 0 N-CA-C 107.474 -1.306 . . . . 72.4 107.474 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.2 p -146.87 145.15 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.148 0 N-CA-C 106.125 -1.806 . . . . 74.34 106.125 -177.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.19 167.05 32.58 Favored Glycine 0 C--N 1.316 -0.55 0 O-C-N 121.95 -0.469 . . . . 63.41 112.873 177.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.8 m -74.74 -15.6 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 O-C-N 121.285 -1.126 . . . . 74.05 109.77 176.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -112.18 15.78 20.36 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.644 -1.162 . . . . 73.41 110.161 -177.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -83.37 122.1 28.03 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.112 -0.495 . . . . 72.55 111.269 -174.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.01 131.85 40.93 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.501 -0.926 . . . . 74.34 108.501 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -53.99 -36.5 63.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.349 0.595 . . . . 72.14 112.268 -178.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -81.13 -13.73 58.39 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.627 0.973 . . . . 73.12 113.627 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -74.5 -33.38 62.81 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.263 0.938 . . . . 73.02 109.318 -177.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -78.68 12.64 1.98 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.441 -0.8 . . . . 74.44 109.83 174.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.17 15.88 73.36 Favored Glycine 0 C--O 1.224 -0.505 0 C-N-CA 121.098 -0.572 . . . . 51.41 113.572 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.8 109.41 2.84 Favored Glycine 0 CA--C 1.524 0.609 0 C-N-CA 121.595 -0.336 . . . . 72.41 113.119 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.4 t -64.82 152.64 42.28 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 122.626 0.37 . . . . 74.12 111.506 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 m -62.71 -27.23 69.11 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.135 0.493 . . . . 51.42 110.697 175.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.93 -37.6 70.01 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 121.377 0.608 . . . . 65.3 110.094 175.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 42.2 tp -67.45 -30.2 69.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.067 -0.395 . . . . 63.42 110.451 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.23 -29.88 67.85 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-O 121.031 0.443 . . . . 65.23 111.762 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 62.9 mtt -65.04 -30.34 71.3 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 121.817 -0.552 . . . . 73.42 110.798 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -67.73 -38.93 84.2 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.669 -0.644 . . . . 74.21 110.221 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.9 tp -64.73 -46.49 82.04 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-N 115.574 -0.739 . . . . 70.11 109.368 -178.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.7 mt -61.75 -39.68 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 N-CA-C 109.79 -0.448 . . . . 74.34 109.79 178.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.81 -44.67 84.94 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.021 -0.424 . . . . 73.52 111.886 178.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -33.07 74.88 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.711 -0.618 . . . . 74.21 111.677 -178.108 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.5 mt -60.4 -33.55 54.54 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.401 0 O-C-N 123.453 0.47 . . . . 73.34 110.109 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -63.45 -32.31 73.71 Favored 'General case' 0 CA--C 1.499 -0.995 0 O-C-N 122.078 -0.389 . . . . 75.43 111.917 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -81.53 -38.09 26.76 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 108.152 -1.055 . . . . 71.22 108.152 -177.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -85.64 -37.94 18.92 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.063 0.764 . . . . 75.32 113.063 -170.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.5 mt -112.26 -6.07 14.11 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.207 0.527 . . . . 73.24 110.023 -174.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.27 23.91 76.17 Favored Glycine 0 C--O 1.222 -0.602 0 C-N-CA 120.229 -0.986 . . . . 73.3 113.888 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.6 p -138.19 144.4 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-N 118.113 0.956 . . . . 75.13 111.354 -174.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -77.19 116.38 17.77 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 108.68 -0.859 . . . . 74.33 108.68 174.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -75.83 118.39 70.68 Favored Pre-proline 0 C--N 1.329 -0.301 0 N-CA-C 108.723 -0.843 . . . . 70.04 108.723 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.444 ' HG2' HE21 ' A' ' 63' ' ' GLN . 27.6 Cg_exo -64.78 129.69 24.13 Favored 'Trans proline' 0 N--CA 1.478 0.566 0 C-N-CA 118.276 -0.683 . . . . 71.24 110.728 177.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.8 tt -62.4 -23.22 31.62 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 O-C-N 120.735 -1.228 . . . . 74.43 111.495 -178.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -66.57 -39.31 88.4 Favored 'General case' 0 C--O 1.22 -0.476 0 O-C-N 121.897 -0.502 . . . . 72.34 111.787 173.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.444 HE21 ' HG2' ' A' ' 60' ' ' PRO . 2.6 mp0 -60.38 -39.3 86.78 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 109.448 -0.575 . . . . 75.3 109.448 177.089 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 tp -70.39 -49.54 48.0 Favored 'General case' 0 C--O 1.215 -0.731 0 N-CA-C 112.614 0.598 . . . . 73.4 112.614 178.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -71.82 -30.01 65.04 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.734 0.642 . . . . 65.43 112.734 -174.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.9 t -76.1 -22.65 55.31 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 121.796 -0.565 . . . . 74.31 111.495 -178.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.8 p -153.12 79.27 5.67 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 108.372 -0.973 . . . . 63.24 108.372 -178.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -78.73 23.9 0.6 Allowed 'Trans proline' 0 CA--C 1.533 0.454 0 N-CA-C 117.376 2.029 . . . . 73.41 117.376 -170.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 55.5 p -106.67 154.03 40.31 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 106.874 -1.528 . . . . 74.25 106.874 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -67.93 -31.26 31.43 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 113.306 -3.996 . . . . 75.45 114.042 -173.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.59 -28.92 61.12 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.153 -0.619 . . . . 74.02 109.376 175.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.62 -50.8 40.29 Favored Glycine 0 C--O 1.226 -0.377 0 N-CA-C 109.709 -1.356 . . . . 55.14 109.709 179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.0 t -59.46 -35.94 61.66 Favored 'Isoleucine or valine' 0 C--O 1.257 1.488 0 N-CA-C 108.564 -0.902 . . . . 71.01 108.564 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.3 -49.07 73.23 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 112.823 0.675 . . . . 54.53 112.823 -177.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.9 ptt-85 -71.15 -33.56 70.16 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.702 -0.623 . . . . 73.43 112.144 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.16 -39.27 82.64 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.037 -0.529 . . . . 65.14 111.308 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 C--N 1.327 -0.374 0 O-C-N 121.922 -0.486 . . . . 74.43 110.503 179.754 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.227 -0.086 0 N-CA-C 112.266 0.469 . . . . 72.54 112.266 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -61.41 -40.39 94.22 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.352 0.501 . . . . 63.43 112.352 -173.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -65.53 -32.55 74.21 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.484 0.55 . . . . 74.54 112.484 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 75.4 t -75.24 -44.93 42.49 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 N-CA-C 108.614 -0.884 . . . . 72.11 108.614 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.0 mt -62.55 -38.92 91.9 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 116.253 -0.431 . . . . 73.33 110.586 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 17.7 t -58.72 -49.37 77.86 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.876 -0.787 . . . . 71.31 108.876 175.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.26 -36.95 85.69 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 113.054 0.761 . . . . 62.2 113.054 -178.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.0 -28.05 69.24 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 121.773 -0.58 . . . . 75.32 111.598 177.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -64.05 -47.49 79.97 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 119.491 1.041 . . . . 73.11 108.52 178.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.11 -33.67 75.95 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.365 0.506 . . . . 64.52 112.365 -177.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -61.84 -34.03 75.23 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.179 0.514 . . . . 74.15 112.038 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.3 mm -89.75 -36.69 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.357 0 CA-C-N 114.531 -1.213 . . . . 73.21 112.425 -174.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.2 mt -80.19 -27.09 38.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.855 -1.066 . . . . 74.53 112.575 -177.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.78 31.27 62.62 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 120.45 -0.881 . . . . 64.4 112.714 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.1 m -103.9 158.36 5.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.308 -0.627 . . . . 75.22 109.308 -178.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -61.49 -47.52 85.26 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.983 0.896 . . . . 75.11 111.223 -178.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -144.67 161.99 37.79 Favored 'General case' 0 CA--C 1.476 -1.879 0 CA-C-N 114.95 -1.023 . . . . 73.12 109.083 -178.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.4 p -147.4 145.87 18.74 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.118 0 N-CA-C 103.398 -2.816 . . . . 62.15 103.398 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.39 167.51 21.36 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.329 -0.708 . . . . 70.33 111.329 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -22.27 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 CA-C-O 122.163 0.982 . . . . 75.23 110.45 179.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -103.85 14.26 31.22 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 113.759 -1.564 . . . . 73.13 111.744 -177.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.89 130.89 35.27 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 114.401 1.26 . . . . 75.4 114.401 -171.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.8 115.79 16.9 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 120.786 -0.366 . . . . 73.0 110.323 -178.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -47.56 -44.51 26.18 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 114.091 1.145 . . . . 75.22 114.091 -177.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -73.96 -17.64 60.98 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 114.074 1.139 . . . . 75.4 114.074 -175.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -73.69 -34.08 64.7 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.524 0.678 . . . . 64.13 109.386 -178.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.86 17.3 1.21 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.302 -0.863 . . . . 75.25 110.753 176.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.91 18.62 69.52 Favored Glycine 0 C--O 1.236 0.271 0 C-N-CA 121.032 -0.604 . . . . 74.32 112.886 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.84 87.63 0.29 Allowed Glycine 0 CA--C 1.516 0.142 0 CA-C-O 122.213 0.896 . . . . 73.32 113.925 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.0 p -71.71 166.26 22.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.275 0.559 . . . . 75.24 110.872 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.2 p -61.18 -28.96 69.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.018 0.437 . . . . 74.14 110.799 176.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.41 -42.81 87.23 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.374 -0.375 . . . . 72.5 110.224 177.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.9 mt -68.05 -35.68 78.63 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.538 -0.171 . . . . 74.53 110.538 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.73 -37.34 70.84 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.077 0.399 . . . . 75.24 112.077 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.5 mmt -62.78 -33.02 74.31 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 112.228 0.455 . . . . 75.34 112.228 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -73.87 -33.61 64.14 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.813 -0.554 . . . . 74.12 109.641 178.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.97 -43.5 82.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.217 0.532 . . . . 73.2 109.982 178.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.09 -37.55 78.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.106 -0.701 . . . . 71.44 109.106 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.14 -43.66 86.43 Favored 'General case' 0 C--O 1.205 -1.237 0 C-N-CA 120.723 -0.391 . . . . 62.13 111.231 177.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -62.96 -41.26 99.47 Favored 'General case' 0 CA--C 1.493 -1.241 0 O-C-N 121.472 -0.767 . . . . 72.3 110.637 179.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.1 mt -56.37 -33.61 38.66 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 N-CA-C 113.02 0.748 . . . . 74.04 113.02 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.8 mtm105 -65.71 -32.98 74.83 Favored 'General case' 0 C--O 1.196 -1.749 0 N-CA-C 113.876 1.065 . . . . 74.32 113.876 178.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -78.73 -37.41 41.43 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 107.898 -1.149 . . . . 75.22 107.898 -175.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -90.08 -48.49 7.16 Favored 'General case' 0 N--CA 1.435 -1.194 0 CA-C-N 114.328 -1.306 . . . . 64.52 111.958 -169.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 67.2 mt -98.76 -8.84 25.36 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 121.635 0.731 . . . . 73.53 111.512 -177.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.26 18.61 79.98 Favored Glycine 0 N--CA 1.466 0.646 0 N-CA-C 115.632 1.013 . . . . 74.33 115.632 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.9 m -143.33 155.2 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 117.79 0.795 . . . . 73.23 110.428 -176.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -82.91 122.07 27.78 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.56 -0.904 . . . . 71.15 108.56 175.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -69.1 121.89 83.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 107.9 -1.148 . . . . 75.52 107.9 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.76 111.24 1.64 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 O-C-N 121.896 0.419 . . . . 75.34 111.45 177.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.7 tt -58.85 -24.39 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-O 121.079 0.466 . . . . 74.35 112.217 -177.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.43 -39.73 88.5 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.609 -0.682 . . . . 73.25 110.88 174.225 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -77.08 -30.82 55.64 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.722 -0.474 . . . . 74.5 109.722 -177.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.0 tp -64.85 -47.34 78.27 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-O 121.144 0.497 . . . . 75.13 110.574 177.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -73.63 -25.57 60.36 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.069 -0.653 . . . . 74.04 111.994 -179.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.4 m -75.69 -24.58 56.29 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.855 0.359 . . . . 74.4 110.79 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.9 m -147.73 87.68 5.84 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 108.742 -0.836 . . . . 71.04 108.742 -178.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -75.62 8.61 2.57 Favored 'Trans proline' 0 N--CA 1.475 0.413 0 N-CA-C 115.624 1.356 . . . . 72.25 115.624 -174.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 65.6 p -98.12 149.22 35.51 Favored Pre-proline 0 C--N 1.327 -0.385 0 N-CA-C 108.95 -0.759 . . . . 72.22 108.95 177.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.05 -30.29 32.36 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 116.257 -2.029 . . . . 73.01 113.544 -175.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.4 -29.98 53.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.56 -0.713 . . . . 64.23 110.552 173.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.61 -47.09 58.7 Favored Glycine 0 CA--C 1.501 -0.823 0 N-CA-C 110.562 -1.015 . . . . 71.34 110.562 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.2 p -64.49 -35.1 73.5 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.373 0 N-CA-C 109.202 -0.666 . . . . 74.01 109.202 -177.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.19 97.09 Favored 'General case' 0 C--O 1.212 -0.873 0 O-C-N 123.45 0.469 . . . . 74.04 111.281 177.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -74.63 -33.19 62.51 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.387 -0.369 . . . . 72.34 110.508 -178.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.99 -41.12 78.27 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 112.21 0.448 . . . . 72.42 112.21 178.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.2 pp . . . . . 0 C--O 1.219 -0.505 0 O-C-N 121.853 -0.529 . . . . 72.21 110.637 177.514 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.462 0.168 0 N-CA-C 114.347 1.24 . . . . 74.44 114.347 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -40.13 93.26 Favored 'General case' 0 C--O 1.202 -1.415 0 N-CA-C 114.174 1.176 . . . . 61.23 114.174 -173.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -69.11 -30.95 69.34 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 120.614 -0.434 . . . . 74.42 111.167 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.3 t -70.52 -44.03 77.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 107.511 -1.292 . . . . 70.33 107.511 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.6 mt -63.26 -43.09 98.96 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.131 -0.94 . . . . 74.14 110.901 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -45.03 88.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.608 -0.269 . . . . 74.31 111.175 177.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.43 -41.95 83.94 Favored 'General case' 0 C--O 1.212 -0.889 0 C-N-CA 120.459 -0.497 . . . . 71.24 111.438 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.3 mt -64.47 -29.93 70.97 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 121.967 -0.458 . . . . 72.1 111.766 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -59.42 -46.0 89.95 Favored 'General case' 0 C--O 1.247 0.953 0 N-CA-C 108.339 -0.986 . . . . 75.14 108.339 174.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.06 -43.21 99.23 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 113.013 0.745 . . . . 51.55 113.013 -179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -60.03 -33.37 71.92 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 112.626 0.602 . . . . 73.54 112.626 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.2 mm -90.7 -37.36 9.3 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 N-CA-C 114.134 1.161 . . . . 70.03 114.134 -177.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.4 mt -88.48 -23.96 23.1 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 122.869 0.468 . . . . 74.31 112.007 -175.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.83 25.95 65.96 Favored Glycine 0 C--O 1.224 -0.516 0 C-N-CA 121.408 -0.425 . . . . 74.4 113.124 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.1 m -97.91 152.69 4.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.992 0.425 . . . . 71.12 109.897 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -69.53 -29.65 67.3 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 114.499 1.296 . . . . 55.23 114.499 -173.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 35.3 ptt85 -149.07 166.17 29.53 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.639 -0.71 . . . . 74.03 111.186 177.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.4 t -137.17 137.16 46.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 107.827 -1.175 . . . . 74.32 107.827 177.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.88 166.51 13.54 Favored Glycine 0 C--O 1.218 -0.903 0 N-CA-C 110.04 -1.224 . . . . 72.31 110.04 175.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 30.2 m -64.97 -22.81 32.16 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.481 0 CA-C-N 118.145 0.972 . . . . 71.11 113.061 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -108.25 15.03 24.46 Favored 'General case' 0 C--O 1.212 -0.896 0 CA-C-O 121.7 0.762 . . . . 73.35 112.66 -178.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.65 113.3 18.75 Favored 'General case' 0 N--CA 1.443 -0.797 0 O-C-N 121.007 -1.058 . . . . 74.2 111.157 -174.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.9 120.92 22.7 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-O 121.643 0.735 . . . . 60.33 110.9 -175.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -46.6 -42.8 16.67 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 114.806 -1.088 . . . . 75.31 113.331 -178.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -74.2 -21.53 59.77 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.397 1.258 . . . . 54.34 114.397 -176.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -85.96 -19.44 30.42 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 109.106 -0.702 . . . . 71.32 109.106 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.0 mt -89.32 20.21 3.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.068 -0.969 . . . . 64.04 110.386 175.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.08 4.24 72.05 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 115.586 0.994 . . . . 63.23 115.586 177.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.48 151.76 51.63 Favored Glycine 0 C--O 1.219 -0.823 0 CA-C-O 122.127 0.848 . . . . 71.2 113.475 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.1 t -141.55 164.92 28.92 Favored 'General case' 0 CA--C 1.5 -0.943 0 N-CA-C 107.175 -1.417 . . . . 63.43 107.175 -177.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.1 m -61.0 -29.04 69.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.945 0.403 . . . . 72.01 110.029 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.53 -41.46 98.48 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.045 0.45 . . . . 72.0 110.585 176.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.6 mt -79.21 -27.74 42.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.174 -0.466 . . . . 74.03 110.373 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.96 -37.76 83.52 Favored 'General case' 0 C--O 1.204 -1.302 0 N-CA-C 109.52 -0.548 . . . . 64.11 109.52 178.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.4 mmt -64.15 -33.84 76.71 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 122.161 -0.337 . . . . 72.11 111.356 177.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -70.82 -37.34 73.2 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 122.068 -0.395 . . . . 75.51 110.861 176.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 52.2 tp -62.95 -46.42 87.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.725 0.774 . . . . 75.44 109.42 178.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.7 mt -62.2 -38.04 80.03 Favored 'Isoleucine or valine' 0 C--N 1.343 0.286 0 N-CA-C 109.382 -0.599 . . . . 73.4 109.382 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.61 -42.67 99.72 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 120.137 -0.625 . . . . 75.41 111.062 178.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.8 mmt85 -66.57 -32.1 73.22 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 121.123 0.487 . . . . 73.31 111.543 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.6 mt -66.42 -31.06 51.89 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.356 0 N-CA-C 108.485 -0.931 . . . . 75.31 108.485 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -66.37 -28.53 68.72 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 118.334 0.516 . . . . 73.51 111.931 175.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -77.93 -40.25 40.19 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 107.979 -1.119 . . . . 75.31 107.979 -178.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -88.18 -40.31 13.81 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 115.822 1.786 . . . . 55.02 115.822 -173.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.9 mt -109.33 -5.92 15.68 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-O 121.14 0.495 . . . . 75.12 109.776 -175.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.7 16.55 76.13 Favored Glycine 0 N--CA 1.465 0.614 0 N-CA-C 115.042 0.777 . . . . 54.32 115.042 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 30.6 m -140.83 157.16 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 117.464 0.632 . . . . 71.51 111.171 -176.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.57 108.98 20.28 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.447 -0.575 . . . . 74.11 109.447 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.59 120.44 68.35 Favored Pre-proline 0 CA--C 1.539 0.541 0 N-CA-C 108.906 -0.776 . . . . 71.33 108.906 177.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.432 ' HG2' HE21 ' A' ' 63' ' ' GLN . 9.6 Cg_endo -60.8 125.74 17.96 Favored 'Trans proline' 0 CA--C 1.471 -2.642 0 CA-C-N 119.307 0.788 . . . . 72.24 112.498 175.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.9 tt -60.19 -21.38 22.26 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 CA-C-O 122.06 0.933 . . . . 73.31 113.446 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -61.28 -36.17 79.32 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-O 122.271 1.034 . . . . 71.21 111.709 176.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.432 HE21 ' HG2' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -75.21 -36.98 61.33 Favored 'General case' 0 N--CA 1.394 -3.243 0 CA-C-N 113.433 -1.712 . . . . 74.22 110.787 -175.843 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.8 tp -64.42 -42.34 96.09 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.678 -0.692 . . . . 73.04 112.578 172.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -70.76 -31.5 68.33 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.633 -0.667 . . . . 74.01 111.936 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.3 m -74.3 -26.38 60.14 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.095 0.474 . . . . 71.52 110.863 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.2 m -149.28 91.04 4.55 Favored Pre-proline 0 C--O 1.219 -0.551 0 N-CA-C 109.211 -0.663 . . . . 63.24 109.211 -178.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -77.52 1.17 9.06 Favored 'Trans proline' 0 C--O 1.216 -0.577 0 N-CA-C 116.766 1.795 . . . . 72.23 116.766 -174.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 72.2 p -92.98 154.2 41.81 Favored Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 108.975 -0.75 . . . . 52.01 108.975 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -67.5 -33.05 30.23 Favored 'Trans proline' 0 CA--C 1.535 0.534 0 C-N-CA 115.842 -2.305 . . . . 73.21 113.983 -177.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.24 -32.84 63.14 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 121.595 -0.691 . . . . 72.23 109.891 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.76 -48.0 58.01 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 110.665 -0.974 . . . . 70.01 110.665 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.1 p -68.31 -27.47 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.563 0 C-N-CA 119.736 -0.785 . . . . 71.31 110.326 -177.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.58 -48.35 69.86 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-O 121.789 0.804 . . . . 43.33 110.426 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -70.84 -33.34 70.56 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.138 -0.976 . . . . 65.44 110.232 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.0 89.74 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 112.192 0.441 . . . . 74.11 112.192 178.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 C--N 1.324 -0.54 0 C-N-CA 120.323 -0.551 . . . . 75.44 110.303 -179.6 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.222 -0.375 0 N-CA-C 113.006 0.743 . . . . 71.21 113.006 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -63.62 -41.27 98.31 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.646 -0.252 . . . . 61.5 111.334 -171.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -68.01 -30.89 70.24 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 120.486 -0.486 . . . . 74.41 112.105 178.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.3 t -70.04 -46.06 74.23 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.568 0 N-CA-C 107.377 -1.342 . . . . 74.44 107.377 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -63.64 -38.76 92.35 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.46 -0.336 . . . . 73.53 111.358 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.0 m -57.43 -47.98 80.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.907 0.384 . . . . 64.14 110.463 174.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.68 -35.28 78.54 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.342 -0.849 . . . . 73.23 111.337 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.6 mt -65.7 -32.91 74.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.199 -0.313 . . . . 74.11 111.021 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -63.32 -49.38 74.2 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 106.938 -1.504 . . . . 75.14 106.938 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.51 -47.78 78.59 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.358 0.599 . . . . 73.5 111.989 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.421 ' HB3' HH12 ' A' ' 50' ' ' ARG . 39.9 mm-40 -60.39 -34.69 74.27 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.506 0.928 . . . . 75.21 113.506 -177.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.9 mt -92.33 -37.87 9.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 112.726 0.639 . . . . 72.13 112.726 -173.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.0 mt -85.77 -24.87 26.68 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 123.259 0.624 . . . . 72.53 111.643 -176.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.32 33.78 31.06 Favored Glycine 0 C--O 1.225 -0.445 0 C-N-CA 120.667 -0.778 . . . . 64.34 112.931 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 m -108.07 147.82 12.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-O 120.995 0.426 . . . . 75.42 110.039 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -72.44 -26.68 61.93 Favored 'General case' 0 CA--C 1.503 -0.863 0 N-CA-C 114.539 1.311 . . . . 75.14 114.539 -175.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.2 tpt85 -143.95 158.7 43.53 Favored 'General case' 0 N--CA 1.438 -1.059 0 O-C-N 121.877 -0.514 . . . . 72.32 109.852 -177.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.2 t -148.09 133.82 11.64 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.309 0 N-CA-C 106.989 -1.485 . . . . 74.33 106.989 175.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.39 171.16 31.96 Favored Glycine 0 C--N 1.342 0.906 0 N-CA-C 110.782 -0.927 . . . . 74.32 110.782 175.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.43 -22.91 20.82 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.846 0 C-N-CA 119.883 -0.727 . . . . 74.54 109.229 179.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -107.95 15.89 23.97 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-N 114.593 -1.185 . . . . 71.12 112.134 -176.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.98 126.9 31.03 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 112.659 0.615 . . . . 63.25 112.659 -175.137 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.96 116.12 18.22 Favored 'General case' 0 C--O 1.211 -0.951 0 CA-C-O 121.561 0.696 . . . . 74.14 109.258 -177.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -51.77 -40.91 61.14 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 115.431 -0.804 . . . . 72.41 111.657 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -76.25 -22.93 54.57 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.565 0.95 . . . . 73.1 113.565 -177.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -77.18 -31.3 55.3 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 107.566 -1.272 . . . . 72.12 107.566 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.7 mt -76.17 11.89 1.35 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.759 -1.109 . . . . 74.12 111.275 173.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.47 4.72 76.43 Favored Glycine 0 N--CA 1.464 0.552 0 CA-C-O 122.466 1.037 . . . . 62.22 115.37 177.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.73 83.1 0.29 Allowed Glycine 0 CA--C 1.529 0.945 0 N-CA-C 115.329 0.892 . . . . 62.52 115.329 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 50.4 m -66.48 161.93 21.75 Favored 'General case' 0 C--O 1.218 -0.557 0 O-C-N 122.671 -0.311 . . . . 62.35 110.848 176.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.3 m -58.79 -29.45 66.83 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.338 0.866 . . . . 74.33 113.338 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.18 -37.89 75.26 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.267 0.556 . . . . 71.35 110.258 176.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.9 tp -70.35 -29.32 65.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.414 0.626 . . . . 73.43 109.541 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.35 -30.07 66.45 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-O 122.002 0.906 . . . . 75.3 112.751 175.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 95.6 mtp -62.98 -35.18 79.33 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 120.829 -1.169 . . . . 74.25 110.048 178.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 ttm-85 -68.39 -36.28 78.91 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.476 -0.765 . . . . 75.31 109.549 177.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 53.2 tp -64.02 -47.42 80.33 Favored 'General case' 0 C--O 1.219 -0.553 0 N-CA-C 109.816 -0.438 . . . . 64.14 109.816 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.7 mt -60.51 -40.09 83.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.907 -0.588 . . . . 74.11 110.217 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.64 94.1 Favored 'General case' 0 C--O 1.213 -0.849 0 C-N-CA 121.308 -0.157 . . . . 75.54 110.927 178.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.421 HH12 ' HB3' ' A' ' 21' ' ' GLU . 8.2 tpt180 -67.48 -34.36 76.99 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 123.521 0.513 . . . . 70.52 109.831 -176.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.6 mt -63.4 -27.67 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.291 0 N-CA-C 108.832 -0.803 . . . . 75.11 108.832 -175.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -63.0 -33.05 74.6 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-O 121.232 0.539 . . . . 75.02 112.287 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -80.43 -37.17 32.57 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.133 -1.062 . . . . 70.41 108.133 -174.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -82.75 -38.9 22.6 Favored 'General case' 0 C--O 1.188 -2.157 0 N-CA-C 114.475 1.287 . . . . 74.22 114.475 -174.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 mt -117.18 -2.16 11.71 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 113.618 0.97 . . . . 74.01 113.618 -171.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.29 26.14 74.33 Favored Glycine 0 C--O 1.219 -0.828 0 CA-C-N 115.79 -0.641 . . . . 61.44 111.77 178.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.9 p -145.13 148.26 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 O-C-N 122.148 -0.619 . . . . 75.51 111.349 -171.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -92.75 117.81 30.4 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.017 -1.105 . . . . 71.24 108.017 174.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.3 tp -64.71 125.04 88.0 Favored Pre-proline 0 C--N 1.321 -0.633 0 C-N-CA 120.175 -0.61 . . . . 71.53 110.845 -177.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.67 120.1 7.29 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 118.275 -0.683 . . . . 71.12 111.035 172.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.2 tt -63.82 -23.24 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 O-C-N 121.685 -0.634 . . . . 73.13 112.006 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.2 mtp85 -63.39 -34.38 77.6 Favored 'General case' 0 CA--C 1.503 -0.855 0 CA-C-O 119.247 -0.406 . . . . 75.01 110.153 174.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -37.63 69.87 Favored 'General case' 0 C--O 1.206 -1.21 0 CA-C-N 119.704 1.138 . . . . 60.34 108.847 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.4 tp -64.96 -45.42 85.77 Favored 'General case' 0 C--O 1.213 -0.867 0 C-N-CA 120.578 -0.449 . . . . 72.42 111.448 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.0 m-30 -70.46 -26.86 63.84 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.393 -0.523 . . . . 72.34 112.118 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.7 t -78.29 -26.11 46.9 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.358 0.599 . . . . 73.33 111.156 178.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.3 m -148.89 87.96 5.31 Favored Pre-proline 0 N--CA 1.449 -0.493 0 N-CA-C 108.45 -0.944 . . . . 71.21 108.45 -177.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -78.73 24.98 0.56 Allowed 'Trans proline' 0 N--CA 1.48 0.685 0 C-N-CA 122.041 1.827 . . . . 70.34 116.113 -175.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.4 p -117.38 153.77 50.22 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 108.661 -0.866 . . . . 72.24 108.661 178.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.95 -28.15 24.67 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 115.841 -2.306 . . . . 70.24 112.608 -174.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.2 -37.07 46.4 Favored 'General case' 0 N--CA 1.439 -0.994 0 C-N-CA 119.439 -0.905 . . . . 74.41 112.063 173.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.39 -43.57 87.2 Favored Glycine 0 C--N 1.308 -1.018 0 C-N-CA 119.348 -1.406 . . . . 52.32 109.882 -175.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.45 -33.66 65.2 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 113.752 1.019 . . . . 74.34 113.752 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.57 -41.27 96.39 Favored 'General case' 0 C--O 1.209 -1.038 0 O-C-N 121.588 -0.695 . . . . 75.43 110.853 178.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -76.47 -37.02 57.54 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 124.9 2.286 . . . . 75.13 108.591 -173.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.6 -43.85 95.74 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 111.76 -2.473 . . . . 74.33 110.529 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.5 pp . . . . . 0 C--O 1.212 -0.889 0 O-C-N 121.285 -0.884 . . . . 74.54 111.125 176.473 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.207 -1.173 0 CA-C-O 121.146 0.498 . . . . 75.44 111.351 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -62.45 -35.14 78.36 Favored 'General case' 0 CA--C 1.49 -1.334 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.544 -178.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.98 -35.79 69.61 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-O 121.596 0.712 . . . . 74.1 111.609 -175.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.2 t -65.86 -43.83 92.97 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.314 0 N-CA-C 105.858 -1.904 . . . . 75.54 105.858 177.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.2 mt -64.57 -39.27 93.43 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 115.752 -0.658 . . . . 73.21 112.096 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 66.6 m -58.68 -46.29 87.56 Favored 'General case' 0 C--O 1.214 -0.767 0 N-CA-C 112.434 0.531 . . . . 63.13 112.434 176.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.69 -36.63 78.74 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.343 -0.848 . . . . 71.14 110.712 -179.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mp -70.49 -30.47 67.27 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.95 -0.389 . . . . 73.33 109.95 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -63.3 -46.21 87.78 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 106.415 -1.698 . . . . 74.34 106.415 174.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.25 92.15 Favored 'General case' 0 N--CA 1.435 -1.175 0 N-CA-C 116.009 1.855 . . . . 71.44 116.009 -178.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -73.35 -27.47 61.51 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 120.725 -1.234 . . . . 73.51 111.794 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.7 mm -87.58 -37.95 11.43 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.844 0 N-CA-C 113.284 0.846 . . . . 73.23 113.284 -178.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.1 mt -84.07 -23.91 30.62 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.044 -1.095 . . . . 74.03 108.044 -177.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.91 19.78 77.07 Favored Glycine 0 C--O 1.241 0.539 0 CA-C-O 118.701 -1.055 . . . . 73.13 112.49 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.5 m -90.98 162.77 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.713 0 CA-C-N 117.721 0.76 . . . . 75.3 109.648 -177.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.26 -26.38 39.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.266 0.555 . . . . 75.52 112.475 -174.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -148.76 155.06 40.44 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 113.124 0.787 . . . . 74.33 113.124 -176.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.9 t -138.79 130.2 35.77 Favored 'Isoleucine or valine' 0 C--O 1.258 1.548 0 O-C-N 123.903 0.752 . . . . 71.53 109.896 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.12 164.86 34.0 Favored Glycine 0 CA--C 1.541 1.664 0 C-N-CA 120.798 -0.715 . . . . 74.41 111.429 172.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -70.15 -18.25 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 O-C-N 121.046 -1.267 . . . . 72.5 110.877 177.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -114.13 17.08 17.94 Favored 'General case' 0 C--O 1.206 -1.206 0 N-CA-C 109.117 -0.698 . . . . 41.04 109.117 -174.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.89 126.36 33.42 Favored 'General case' 0 C--O 1.244 0.767 0 C-N-CA 120.176 -0.61 . . . . 65.54 111.23 -175.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.12 134.76 36.72 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-O 122.225 1.012 . . . . 71.0 109.12 -177.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -56.46 -38.53 71.78 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 115.799 -0.637 . . . . 75.24 111.751 -178.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -79.79 -18.94 49.75 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.756 1.021 . . . . 74.31 113.756 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -75.92 -34.81 59.92 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 107.104 -1.443 . . . . 71.54 107.104 -178.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.4 mt -79.75 20.62 0.58 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.559 -1.2 . . . . 74.04 113.466 174.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.29 6.9 68.15 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 114.524 0.57 . . . . 65.25 114.524 175.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.45 169.55 54.09 Favored Glycine 0 C--O 1.214 -1.149 0 C-N-CA 120.079 -1.057 . . . . 60.14 114.56 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 88.3 p -144.86 166.3 25.66 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.587 -0.523 . . . . 74.31 109.587 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.7 m -59.97 -32.0 70.41 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.983 0.734 . . . . 73.11 112.983 177.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.89 -42.46 66.76 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 123.673 0.608 . . . . 45.35 110.532 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.2 tp -66.22 -32.05 73.25 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 121.676 0.751 . . . . 75.53 109.994 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.97 -29.05 66.9 Favored 'General case' 0 C--O 1.191 -1.986 0 CA-C-O 121.456 0.646 . . . . 75.14 111.167 -178.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 59.9 mtt -64.79 -28.24 69.43 Favored 'General case' 0 C--O 1.212 -0.914 0 O-C-N 121.729 -0.607 . . . . 75.13 111.356 178.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -76.08 -37.94 57.62 Favored 'General case' 0 C--O 1.249 1.031 0 N-CA-C 108.458 -0.942 . . . . 70.31 108.458 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 34.8 tp -61.58 -46.94 87.76 Favored 'General case' 0 C--O 1.225 -0.185 0 O-C-N 123.921 0.763 . . . . 65.31 109.146 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 74.6 mt -59.94 -37.97 74.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-O 121.11 0.481 . . . . 73.45 109.919 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.81 -42.91 94.51 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.445 -0.784 . . . . 73.3 111.382 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -68.77 -32.08 71.58 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 114.341 1.237 . . . . 72.41 114.341 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.9 mt -60.51 -33.62 55.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 N-CA-C 109.021 -0.733 . . . . 71.45 109.021 178.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -64.77 -33.09 75.16 Favored 'General case' 0 C--O 1.204 -1.318 0 O-C-N 121.301 -0.874 . . . . 74.01 112.354 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -80.37 -35.98 34.61 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 107.96 -1.126 . . . . 72.41 107.96 -175.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -84.63 -47.61 10.33 Favored 'General case' 0 C--O 1.204 -1.313 0 CA-C-N 115.233 -0.894 . . . . 71.22 111.941 -173.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 65.1 mt -106.9 -1.93 21.84 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 118.577 0.626 . . . . 75.34 110.902 -171.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.71 24.34 74.07 Favored Glycine 0 CA--C 1.502 -0.769 0 CA-C-N 115.309 -0.86 . . . . 74.3 113.234 176.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.5 m -139.18 146.31 26.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 117.976 0.888 . . . . 75.52 112.044 -177.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -86.58 89.01 7.77 Favored 'General case' 0 C--O 1.251 1.133 0 CA-C-O 121.709 0.766 . . . . 71.42 109.049 176.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.95 124.05 85.52 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-N 114.859 -1.064 . . . . 74.13 110.672 -174.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -62.75 132.76 38.83 Favored 'Trans proline' 0 C--O 1.218 -0.49 0 C-N-CA 120.889 1.06 . . . . 73.4 113.884 -178.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.2 tt -63.28 -21.64 28.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-O 121.727 0.775 . . . . 71.45 109.887 175.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -63.27 -33.47 75.58 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 118.708 -0.663 . . . . 74.34 111.826 174.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -73.73 -39.16 64.48 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-N 118.234 0.47 . . . . 74.54 111.166 177.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.77 -40.25 94.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.078 0.466 . . . . 74.14 112.041 176.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -75.25 -20.7 59.05 Favored 'General case' 0 C--O 1.214 -0.796 0 C-N-CA 119.376 -0.929 . . . . 75.04 110.637 178.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.4 t -73.91 -34.73 64.49 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.853 -1.165 . . . . 61.23 107.853 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.3 t -156.35 110.35 2.05 Favored Pre-proline 0 C--N 1.318 -0.765 0 N-CA-C 108.154 -1.054 . . . . 71.33 108.154 178.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -83.26 0.94 9.32 Favored 'Trans proline' 0 C--O 1.216 -0.575 0 N-CA-C 117.478 2.069 . . . . 72.43 117.478 -174.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 71.6 p -92.17 155.65 42.63 Favored Pre-proline 0 C--N 1.316 -0.855 0 CA-C-N 118.527 0.603 . . . . 72.11 109.739 -177.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.61 -32.29 24.61 Favored 'Trans proline' 0 C--O 1.248 0.997 0 C-N-CA 115.81 -2.327 . . . . 54.35 112.812 -174.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.86 -31.03 51.21 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-O 122.065 0.936 . . . . 63.52 109.054 177.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -71.42 -40.63 59.85 Favored Glycine 0 C--O 1.25 1.096 0 C-N-CA 120.879 -0.677 . . . . 63.44 113.938 -177.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.6 p -68.31 -31.08 49.96 Favored 'Isoleucine or valine' 0 C--O 1.25 1.107 0 N-CA-C 109.083 -0.71 . . . . 64.23 109.083 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.18 96.43 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.302 0.572 . . . . 74.24 110.537 176.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.3 mtp-105 -72.57 -35.95 68.08 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 121.172 -0.955 . . . . 75.45 111.478 177.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.3 -42.81 99.08 Favored 'General case' 0 C--N 1.333 -0.115 0 N-CA-C 112.865 0.691 . . . . 65.22 112.865 -178.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--O 1.236 0.373 0 N-CA-C 109.01 -0.737 . . . . 74.52 109.01 -178.221 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.474 0.763 0 CA-C-O 121.252 0.548 . . . . 65.15 111.232 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -59.18 -36.89 76.12 Favored 'General case' 0 C--O 1.192 -1.969 0 CA-C-N 115.896 -0.593 . . . . 64.52 112.019 -177.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt -74.22 -31.74 62.73 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 112.421 0.526 . . . . 73.24 112.421 -170.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.5 t -68.26 -47.21 79.05 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 N-CA-C 107.118 -1.438 . . . . 73.01 107.118 174.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.6 mt -60.84 -38.52 85.8 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 112.341 0.497 . . . . 74.13 112.341 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.5 m -58.41 -46.03 87.25 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.258 -0.276 . . . . 74.13 111.323 175.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.65 -37.64 85.22 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.234 -0.917 . . . . 61.23 110.516 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mp -62.98 -35.94 81.86 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.644 -0.707 . . . . 72.42 109.878 178.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -61.05 -43.95 98.12 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 107.775 -1.195 . . . . 74.21 107.775 178.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.0 93.68 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 113.915 1.08 . . . . 53.13 113.915 -176.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -62.61 -35.57 79.98 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-O 121.868 0.842 . . . . 73.41 112.194 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.8 mm -86.97 -38.01 11.79 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 CA-C-N 115.052 -0.976 . . . . 75.43 112.975 -175.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.6 mt -88.36 -26.47 22.19 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 113.54 0.941 . . . . 73.4 113.54 -176.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.57 31.33 41.27 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.838 -0.696 . . . . 73.11 113.121 -178.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 m -106.48 151.87 8.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 109.215 -0.661 . . . . 73.33 109.215 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -70.8 -37.01 73.25 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.945 1.461 . . . . 74.32 114.945 -175.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.2 mtt-85 -135.79 155.87 49.68 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 115.672 -0.695 . . . . 74.24 109.621 -176.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.7 t -134.18 131.15 55.23 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.9 0 O-C-N 124.478 1.111 . . . . 74.33 109.443 178.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.505 ' H ' ' CG ' ' A' ' 32' ' ' ASP . . . -91.73 169.85 33.0 Favored Glycine 0 CA--C 1.528 0.86 0 N-CA-C 110.269 -1.132 . . . . 64.4 110.269 176.072 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -21.02 17.41 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.545 0 CA-C-O 121.772 0.796 . . . . 74.04 110.117 178.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -101.7 10.55 39.96 Favored 'General case' 0 C--O 1.206 -1.186 0 CA-C-N 114.207 -1.361 . . . . 74.13 112.584 -175.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.505 ' CG ' ' H ' ' A' ' 29' ' ' GLY . 2.7 m-20 -69.81 118.44 12.67 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.805 -0.56 . . . . 61.3 111.239 -170.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.03 115.09 21.7 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 108.019 -1.104 . . . . 64.15 108.019 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -48.74 -43.61 37.68 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 113.532 0.938 . . . . 72.24 113.532 -173.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -74.18 -20.74 60.1 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 114.144 1.165 . . . . 64.14 114.144 -177.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -78.14 -29.46 48.8 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.692 0.758 . . . . 74.32 109.044 -178.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 mt -81.35 18.56 1.11 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.289 -0.869 . . . . 75.43 110.993 177.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.78 7.48 81.26 Favored Glycine 0 CA--C 1.516 0.129 0 C-N-CA 121.363 -0.446 . . . . 73.3 113.013 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.98 145.38 47.89 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-O 121.925 0.736 . . . . 63.21 112.377 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.0 p -128.22 168.91 14.79 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.726 -0.842 . . . . 75.23 108.726 -178.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.2 p -61.41 -32.8 72.76 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.067 -0.346 . . . . 71.23 110.067 177.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.53 -43.41 85.26 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 120.848 0.356 . . . . 73.34 110.505 177.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.4 mt -68.51 -32.0 71.65 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 122.294 -0.254 . . . . 71.43 110.488 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.66 -34.12 75.17 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-O 121.517 0.675 . . . . 61.32 111.237 177.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 67.1 mtm -65.22 -35.54 81.38 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 120.705 -1.247 . . . . 73.33 110.723 175.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -74.13 -31.91 62.94 Favored 'General case' 0 C--O 1.207 -1.132 0 O-C-N 121.304 -0.873 . . . . 71.5 109.47 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.3 tp -63.37 -48.1 79.34 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 107.427 -1.323 . . . . 64.25 107.427 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.6 mt -60.17 -38.19 76.18 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.798 0 CA-C-N 115.622 -0.717 . . . . 62.02 109.688 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.81 -40.95 98.96 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 120.148 -0.621 . . . . 72.13 110.348 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.25 -39.12 92.24 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.151 0.426 . . . . 74.43 112.151 178.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.03 -33.77 51.15 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.146 0 N-CA-C 113.195 0.813 . . . . 74.43 113.195 177.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -61.26 -32.28 72.09 Favored 'General case' 0 C--O 1.206 -1.186 0 O-C-N 120.456 -1.403 . . . . 74.32 111.481 -178.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -80.06 -33.98 38.52 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-O 123.264 1.507 . . . . 73.51 107.733 -171.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -96.29 -43.53 7.65 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 113.415 -1.72 . . . . 74.13 112.956 -169.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.6 mt -102.57 -9.26 20.3 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.009 -1.057 . . . . 74.42 110.515 -177.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.79 17.7 79.61 Favored Glycine 0 C--N 1.354 1.559 0 CA-C-N 114.953 -1.021 . . . . 61.53 115.515 176.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.9 m -144.15 153.46 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 117.469 0.635 . . . . 72.22 111.452 -177.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -86.03 103.4 14.68 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.222 -1.029 . . . . 74.42 108.222 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.91 127.34 89.0 Favored Pre-proline 0 C--N 1.324 -0.543 0 C-N-CA 120.23 -0.588 . . . . 74.0 109.595 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -64.19 128.89 22.7 Favored 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 118.479 -0.547 . . . . 74.44 110.874 176.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.0 tt -59.58 -23.53 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 CA-C-O 121.768 0.794 . . . . 70.24 110.15 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -58.65 -31.75 68.43 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.425 -0.807 . . . . 75.22 112.126 175.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -75.02 -39.75 60.94 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.167 -1.049 . . . . 74.23 108.167 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.96 -37.98 89.44 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-O 121.023 0.44 . . . . 74.22 110.893 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -71.25 -28.63 64.31 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.378 -0.529 . . . . 75.3 111.2 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.0 t -78.59 -28.47 45.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.128 0.49 . . . . 73.04 110.791 178.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.0 m -152.26 99.66 2.85 Favored Pre-proline 0 C--N 1.328 -0.353 0 N-CA-C 108.497 -0.927 . . . . 64.3 108.497 -177.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -79.98 8.9 3.8 Favored 'Trans proline' 0 C--N 1.345 0.359 0 N-CA-C 115.688 1.38 . . . . 74.45 115.688 -176.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 71.8 p -105.1 151.81 39.58 Favored Pre-proline 0 CA--C 1.511 -0.535 0 CA-C-N 118.126 0.421 . . . . 72.32 110.925 -178.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -67.9 -32.82 28.13 Favored 'Trans proline' 0 C--O 1.248 0.996 0 C-N-CA 116.652 -1.765 . . . . 73.23 113.139 -176.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.61 -31.46 47.05 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 118.71 -1.196 . . . . 73.22 110.783 177.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -71.22 -42.93 56.89 Favored Glycine 0 CA--C 1.496 -1.096 0 C-N-CA 118.843 -1.646 . . . . 51.32 111.064 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.8 p -65.09 -36.04 76.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 C-N-CA 120.336 -0.546 . . . . 51.13 110.15 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.8 97.64 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 123.006 0.523 . . . . 70.31 110.719 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.1 mtp85 -75.42 -34.61 61.03 Favored 'General case' 0 C--N 1.315 -0.902 0 O-C-N 122.075 -0.391 . . . . 73.12 110.796 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.26 -49.25 70.3 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 111.745 0.276 . . . . 65.41 111.745 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 CA--C 1.507 -0.696 0 C-N-CA 120.825 -0.35 . . . . 73.41 111.898 177.667 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.215 -0.737 0 N-CA-C 112.381 0.512 . . . . 75.32 112.381 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -60.09 -40.27 89.0 Favored 'General case' 0 CA--C 1.492 -1.262 0 CA-C-N 116.297 -0.41 . . . . 62.21 110.391 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -66.3 -39.62 89.47 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 120.179 -0.608 . . . . 74.54 111.277 -175.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.2 t -67.65 -52.75 37.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-O 121.495 0.664 . . . . 73.31 110.898 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 pp -72.58 -26.21 61.63 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 119.318 -0.953 . . . . 75.45 112.483 -175.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.7 t -67.12 -41.57 85.95 Favored 'General case' 0 C--O 1.194 -1.867 0 N-CA-C 109.83 -0.433 . . . . 74.43 109.83 175.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.57 84.11 Favored 'General case' 0 C--O 1.25 1.088 0 N-CA-C 108.269 -1.012 . . . . 64.34 108.269 178.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tp -68.54 -29.36 67.92 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.359 -0.837 . . . . 73.53 111.407 -178.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -60.75 -44.2 97.01 Favored 'General case' 0 C--O 1.211 -0.956 0 N-CA-C 107.377 -1.342 . . . . 72.23 107.377 175.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.09 91.38 Favored 'General case' 0 N--CA 1.427 -1.585 0 N-CA-C 112.352 0.501 . . . . 74.23 112.352 -175.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -78.73 -28.29 44.94 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 114.455 1.28 . . . . 73.41 114.455 -177.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.4 mm -82.26 -33.09 11.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 CA-C-O 121.458 0.646 . . . . 74.14 111.362 -178.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.2 mt -89.08 -26.37 21.41 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 115.335 -0.848 . . . . 72.51 109.774 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.13 28.58 58.12 Favored Glycine 0 C--O 1.24 0.482 0 CA-C-O 119.642 -0.532 . . . . 73.14 113.268 179.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.2 m -101.04 158.55 4.06 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.501 0 N-CA-C 112.768 0.655 . . . . 74.01 112.768 -176.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.6 -36.66 84.39 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.948 0.88 . . . . 64.53 112.495 -175.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -146.56 157.42 43.73 Favored 'General case' 0 C--O 1.255 1.391 0 C-N-CA 123.734 0.813 . . . . 71.34 109.19 -176.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 p -147.64 137.54 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.31 0 N-CA-C 103.621 -2.733 . . . . 75.22 103.621 171.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.54 ' H ' ' HB2' ' A' ' 32' ' ' ASP . . . -104.19 169.02 17.15 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 108.124 -1.99 . . . . 75.53 108.124 178.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.423 ' HA ' ' HG2' ' A' ' 70' ' ' PRO . 0.1 OUTLIER -67.84 -21.48 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 CA-C-N 117.552 0.676 . . . . 74.2 110.131 178.7 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -105.64 12.31 31.27 Favored 'General case' 0 C--O 1.196 -1.754 0 CA-C-O 121.912 0.863 . . . . 73.11 111.441 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.54 ' HB2' ' H ' ' A' ' 29' ' ' GLY . 3.4 t0 -88.2 139.07 30.88 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.859 -1.151 . . . . 65.15 112.484 -173.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.79 134.18 34.32 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 120.452 -1.405 . . . . 72.51 110.311 -173.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -55.02 -33.97 63.1 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-N 116.07 -0.513 . . . . 75.04 111.052 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -85.99 -16.22 39.0 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 114.903 1.445 . . . . 72.13 114.903 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -76.57 -34.92 58.45 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 106.066 -1.827 . . . . 70.44 106.066 178.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.8 mt -78.09 15.45 0.91 Allowed 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 113.926 -1.488 . . . . 74.24 113.104 178.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.82 22.3 66.68 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 115.164 0.825 . . . . 71.03 115.164 176.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.87 157.25 42.66 Favored Glycine 0 C--O 1.212 -1.24 0 N-CA-C 116.721 1.448 . . . . 54.31 116.721 -178.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.9 m -132.07 160.97 34.38 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 122.97 0.508 . . . . 72.24 111.618 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.5 p -60.91 -35.09 75.78 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 121.87 -0.518 . . . . 74.01 112.322 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.73 -39.46 93.67 Favored 'General case' 0 C--O 1.244 0.782 0 O-C-N 123.256 0.348 . . . . 62.23 110.535 177.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.9 mt -73.28 -27.66 61.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.858 -0.61 . . . . 73.41 110.24 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.99 97.71 Favored 'General case' 0 C--O 1.194 -1.831 0 O-C-N 121.224 -0.922 . . . . 63.03 109.909 176.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 15.1 mmt -65.8 -34.38 78.03 Favored 'General case' 0 C--O 1.19 -2.039 0 O-C-N 121.71 -0.619 . . . . 71.44 110.635 177.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -40.64 77.97 Favored 'General case' 0 C--O 1.27 2.168 0 N-CA-C 112.838 0.681 . . . . 72.21 112.838 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 36.9 tp -60.82 -49.0 79.24 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.813 0.845 . . . . 75.24 109.487 173.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 67.7 mt -59.02 -41.35 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-O 121.319 0.58 . . . . 73.43 109.793 -179.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.55 -37.03 85.54 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.59 -0.694 . . . . 73.0 112.558 178.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.9 tpt85 -68.96 -35.02 76.27 Favored 'General case' 0 C--O 1.183 -2.437 0 CA-C-O 120.861 0.362 . . . . 74.32 110.225 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.8 mt -62.08 -27.64 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.403 -2.784 0 CA-C-O 121.753 0.787 . . . . 74.22 109.645 -176.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -68.54 -30.63 69.47 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.848 -0.615 . . . . 74.1 111.421 179.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -79.05 -34.45 43.75 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.043 -1.095 . . . . 61.41 108.043 -178.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -82.69 -48.96 10.29 Favored 'General case' 0 C--O 1.208 -1.112 0 N-CA-C 114.515 1.302 . . . . 75.41 114.515 -176.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.3 mt -110.59 -4.79 15.27 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.711 0.634 . . . . 61.04 112.711 -170.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.93 25.7 73.2 Favored Glycine 0 CA--C 1.502 -0.755 0 CA-C-N 114.901 -1.045 . . . . 71.25 113.503 178.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.4 m -140.51 156.39 23.62 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.354 0 O-C-N 121.783 -0.834 . . . . 73.14 109.306 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -92.54 111.38 22.95 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 109.454 -0.573 . . . . 74.2 109.454 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.1 tp -65.95 120.28 67.95 Favored Pre-proline 0 CA--C 1.543 0.711 0 N-CA-C 109.489 -0.56 . . . . 75.32 109.489 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.79 124.09 13.05 Favored 'Trans proline' 0 CA--C 1.518 -0.304 0 N-CA-C 110.583 -0.583 . . . . 64.34 110.583 176.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.9 tt -60.85 -23.18 28.58 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.95 0 CA-C-O 121.405 0.621 . . . . 71.32 111.509 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -35.73 81.83 Favored 'General case' 0 C--O 1.198 -1.607 0 O-C-N 121.445 -0.784 . . . . 73.14 111.203 177.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -70.07 -39.43 75.65 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 121.474 0.654 . . . . 74.43 109.598 179.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.2 tp -63.43 -41.99 98.68 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.604 -0.726 . . . . 72.2 111.568 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -71.22 -30.07 65.91 Favored 'General case' 0 C--O 1.202 -1.426 0 C-N-CA 119.846 -0.742 . . . . 74.21 110.79 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.3 t -74.83 -25.53 59.07 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 122.147 -0.346 . . . . 74.05 110.793 -177.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.1 m -152.32 92.24 3.51 Favored Pre-proline 0 C--N 1.31 -1.112 0 N-CA-C 106.976 -1.49 . . . . 75.4 106.976 -178.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -76.94 3.97 6.14 Favored 'Trans proline' 0 C--O 1.216 -0.581 0 N-CA-C 115.829 1.434 . . . . 71.04 115.829 -178.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.9 p -93.92 150.11 38.04 Favored Pre-proline 0 C--O 1.242 0.691 0 N-CA-C 108.394 -0.965 . . . . 71.44 108.394 178.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.423 ' HG2' ' HA ' ' A' ' 30' ' ' VAL . 63.4 Cg_endo -65.83 -34.78 38.58 Favored 'Trans proline' 0 C--O 1.248 1.023 0 C-N-CA 116.795 -1.67 . . . . 73.01 113.577 -175.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.39 -26.26 59.99 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.959 0.885 . . . . 75.31 110.93 178.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -75.03 -47.99 12.25 Favored Glycine 0 N--CA 1.438 -1.2 0 CA-C-O 118.713 -1.048 . . . . 73.52 112.32 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.6 p -66.18 -32.66 59.11 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.574 0 CA-C-N 117.945 0.872 . . . . 74.12 110.271 -178.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.69 -48.42 79.35 Favored 'General case' 0 C--O 1.204 -1.296 0 N-CA-C 113.837 1.051 . . . . 53.21 113.837 176.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.9 ptp180 -73.08 -31.3 64.29 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 119.651 -0.82 . . . . 64.22 109.778 -177.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.89 -46.08 89.52 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 112.662 0.616 . . . . 71.33 112.662 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 N--CA 1.469 0.514 0 CA-C-N 116.045 -0.525 . . . . 72.24 110.045 179.427 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.5 m . . . . . 0 CA--C 1.542 0.648 0 CA-C-O 122.596 1.189 . . . . 71.25 111.903 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.2 mp0 -62.29 -39.66 93.7 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 114.685 -1.143 . . . . 64.24 112.154 -174.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -66.88 -32.29 73.46 Favored 'General case' 0 C--O 1.21 -0.992 0 N-CA-C 113.252 0.834 . . . . 74.14 113.252 -178.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.2 t -69.8 -42.94 80.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 107.03 -1.47 . . . . 74.21 107.03 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.6 mt -64.37 -39.35 93.71 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.446 -0.797 . . . . 75.42 111.636 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 47.5 m -62.09 -44.98 95.48 Favored 'General case' 0 C--O 1.209 -1.054 0 N-CA-C 111.796 0.295 . . . . 75.1 111.796 175.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.23 96.82 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 120.905 -1.122 . . . . 72.01 109.639 -178.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mp -65.45 -32.38 73.97 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-O 120.992 0.425 . . . . 73.42 111.12 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -63.52 -45.39 90.83 Favored 'General case' 0 C--O 1.203 -1.387 0 N-CA-C 108.348 -0.982 . . . . 73.13 108.348 174.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.52 -41.29 97.1 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 121.403 0.621 . . . . 62.52 112.66 -177.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.87 -42.21 97.59 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 123.131 0.572 . . . . 73.32 111.852 -177.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.8 mt -88.21 -35.74 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 120.531 -0.468 . . . . 74.13 111.917 -172.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.0 mt -83.97 -20.66 32.47 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 123.7 0.625 . . . . 71.11 110.337 -177.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.19 31.31 52.75 Favored Glycine 0 CA--C 1.498 -0.978 0 CA-C-O 119.283 -0.732 . . . . 71.23 113.929 176.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -110.43 153.46 12.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 CA-C-O 120.943 0.402 . . . . 65.4 110.308 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -71.38 -31.76 67.69 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 114.388 1.255 . . . . 65.04 114.388 -174.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -140.4 154.46 46.71 Favored 'General case' 0 CA--C 1.5 -0.978 0 N-CA-C 109.664 -0.495 . . . . 75.1 109.664 -177.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 56.4 t -134.01 126.36 50.05 Favored 'Isoleucine or valine' 0 C--O 1.245 0.839 0 O-C-N 124.865 1.353 . . . . 72.52 109.845 176.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.5 158.74 34.32 Favored Glycine 0 C--N 1.336 0.576 0 N-CA-C 110.499 -1.04 . . . . 75.24 110.499 174.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.4 m -65.68 -14.14 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 O-C-N 121.234 -1.156 . . . . 70.21 111.982 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -119.11 15.15 13.22 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 116.531 -0.304 . . . . 74.31 111.436 -175.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -74.01 126.72 31.11 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 119.516 -0.874 . . . . 75.22 110.54 -176.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.65 128.13 33.05 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 108.449 -0.945 . . . . 74.42 108.449 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -52.13 -38.86 58.86 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.776 -0.647 . . . . 75.02 112.429 -176.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -78.48 -15.94 58.07 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 115.85 1.796 . . . . 75.04 115.85 -178.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -79.8 -31.76 40.72 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 107.021 -1.474 . . . . 65.41 107.021 -179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 mp -84.62 21.14 1.57 Allowed 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 113.903 -1.498 . . . . 74.43 111.122 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.59 4.08 73.71 Favored Glycine 0 N--CA 1.459 0.17 0 N-CA-C 115.211 0.844 . . . . 75.15 115.211 178.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.22 157.0 53.52 Favored Glycine 0 C--O 1.251 1.171 0 CA-C-O 122.962 1.312 . . . . 61.11 115.085 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 75.9 p -142.76 174.86 10.28 Favored 'General case' 0 C--O 1.213 -0.832 0 N-CA-C 108.281 -1.007 . . . . 74.14 108.281 -176.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.7 p -65.24 -29.06 69.82 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 122.208 -0.307 . . . . 74.01 111.316 174.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.7 -40.27 69.62 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-O 121.12 0.486 . . . . 62.44 109.728 177.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.7 mt -74.91 -24.53 58.53 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 121.633 -0.667 . . . . 73.23 110.133 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.77 -30.88 71.91 Favored 'General case' 0 C--O 1.202 -1.399 0 O-C-N 121.341 -0.849 . . . . 74.31 109.683 175.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 60.5 mtt -68.6 -33.97 74.98 Favored 'General case' 0 C--O 1.219 -0.503 0 O-C-N 121.18 -0.95 . . . . 74.24 110.081 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -70.72 -40.9 72.54 Favored 'General case' 0 C--O 1.241 0.658 0 N-CA-C 108.356 -0.979 . . . . 73.33 108.356 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.4 tp -60.45 -50.09 74.96 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 124.101 0.875 . . . . 71.44 110.465 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.8 mt -60.96 -40.49 85.64 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.804 0 N-CA-C 109.709 -0.478 . . . . 71.11 109.709 -177.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.5 -41.18 96.59 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 122.357 -0.214 . . . . 73.54 111.224 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -66.59 -33.13 74.99 Favored 'General case' 0 C--O 1.189 -2.108 0 CA-C-O 121.444 0.64 . . . . 72.21 111.4 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.6 mt -65.23 -26.27 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.4 -2.965 0 CA-C-N 115.861 -0.609 . . . . 75.01 109.785 -175.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -67.71 -32.78 73.66 Favored 'General case' 0 C--O 1.205 -1.278 0 C-N-CA 119.87 -0.732 . . . . 73.35 111.387 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -74.13 -40.54 62.57 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 107.408 -1.331 . . . . 73.54 107.408 -176.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -83.37 -46.64 12.33 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 115.412 1.634 . . . . 61.22 115.412 -173.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.3 mt -105.57 -8.21 18.13 Favored 'General case' 0 CA--C 1.504 -0.803 0 O-C-N 121.404 -0.81 . . . . 72.5 111.415 -173.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.74 27.21 73.53 Favored Glycine 0 C--O 1.246 0.849 0 CA-C-O 118.349 -1.251 . . . . 73.2 112.609 178.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 33.6 m -141.02 157.25 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 CA-C-N 118.553 1.177 . . . . 44.52 111.719 -178.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -86.45 101.72 13.41 Favored 'General case' 0 C--O 1.218 -0.558 0 C-N-CA 123.735 0.814 . . . . 70.33 111.018 177.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -62.46 117.6 32.55 Favored Pre-proline 0 C--O 1.239 0.545 0 C-N-CA 120.726 -0.39 . . . . 74.44 110.463 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -65.67 117.53 4.7 Favored 'Trans proline' 0 C--N 1.35 0.616 0 N-CA-C 113.672 0.605 . . . . 75.12 113.672 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 17.8 tt -59.38 -26.84 35.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-O 121.598 0.713 . . . . 71.53 112.522 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -67.39 -33.72 75.78 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 121.513 -0.742 . . . . 74.44 111.07 176.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -39.03 63.57 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 108.458 -0.941 . . . . 74.13 108.458 177.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 27.2 tp -60.04 -44.2 94.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.847 -0.615 . . . . 75.33 110.756 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.1 m-30 -73.25 -26.68 61.21 Favored 'General case' 0 C--N 1.319 -0.725 0 O-C-N 121.684 -0.635 . . . . 72.32 111.793 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.6 m -74.98 -25.99 59.25 Favored 'General case' 0 N--CA 1.48 1.075 0 O-C-N 122.032 -0.418 . . . . 73.34 111.058 177.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.4 p -153.46 88.53 3.68 Favored Pre-proline 0 CA--C 1.547 0.854 0 N-CA-C 107.995 -1.113 . . . . 73.32 107.995 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -81.3 35.41 0.58 Allowed 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.604 2.203 . . . . 74.53 114.161 -174.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.4 p -120.39 153.76 56.2 Favored Pre-proline 0 N--CA 1.447 -0.588 0 N-CA-C 106.299 -1.741 . . . . 75.52 106.299 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.82 -38.3 10.31 Favored 'Trans proline' 0 C--O 1.213 -0.73 0 C-N-CA 115.86 -2.293 . . . . 72.14 113.829 -172.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.19 -21.42 42.99 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 120.88 -1.138 . . . . 64.24 111.45 177.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.69 -46.94 28.77 Favored Glycine 0 C--O 1.223 -0.545 0 C-N-CA 121.271 -0.49 . . . . 72.41 111.887 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.4 p -64.56 -36.26 76.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.193 -0.669 . . . . 73.52 109.193 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.53 -49.53 77.41 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 121.694 0.759 . . . . 65.52 111.851 179.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.3 mtt85 -69.42 -36.63 76.89 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 121.381 -0.824 . . . . 74.03 110.298 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.06 -33.6 75.86 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 113.0 0.741 . . . . 73.32 113.0 -176.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.0 pp . . . . . 0 N--CA 1.472 0.626 0 O-C-N 123.529 0.518 . . . . 75.43 111.916 178.017 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.217 -0.609 0 N-CA-C 109.276 -0.638 . . . . 64.12 109.276 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -54.17 -46.94 72.47 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 112.97 0.73 . . . . 74.04 112.97 -176.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -68.8 -24.96 64.46 Favored 'General case' 0 C--O 1.27 2.154 0 N-CA-C 113.169 0.803 . . . . 74.44 113.169 -173.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.7 t -76.72 -49.17 24.47 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 N-CA-C 107.197 -1.408 . . . . 73.42 107.197 177.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.3 mt -58.15 -42.88 86.86 Favored 'General case' 0 C--O 1.214 -0.794 0 N-CA-C 108.4 -0.963 . . . . 73.41 108.4 -175.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -47.16 86.77 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.558 0.694 . . . . 75.2 112.637 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.91 -43.5 79.11 Favored 'General case' 0 C--O 1.201 -1.453 0 N-CA-C 108.11 -1.07 . . . . 73.11 108.11 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.36 -31.87 73.14 Favored 'General case' 0 CA--C 1.564 1.501 0 O-C-N 121.071 -1.018 . . . . 74.44 110.8 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -60.36 -45.53 93.14 Favored 'General case' 0 C--O 1.201 -1.495 0 N-CA-C 104.905 -2.257 . . . . 70.04 104.905 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.81 -47.22 85.54 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-O 119.208 -0.425 . . . . 65.22 111.256 -178.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -62.83 -35.11 78.86 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 123.347 1.546 . . . . 73.34 113.731 -174.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.9 mm -88.01 -40.14 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.053 0 CA-C-N 114.157 -1.383 . . . . 73.31 111.445 -175.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.0 mt -81.76 -24.35 36.09 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 124.605 1.191 . . . . 64.35 110.183 -178.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.49 29.04 60.44 Favored Glycine 0 C--O 1.217 -0.951 0 C-N-CA 120.205 -0.998 . . . . 75.33 112.543 176.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.9 m -101.19 154.98 4.62 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.156 0 CA-C-O 122.015 0.912 . . . . 75.35 111.044 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -68.52 -32.15 71.9 Favored 'General case' 0 N--CA 1.512 2.627 0 N-CA-C 113.05 0.759 . . . . 61.34 113.05 -172.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -150.38 156.79 42.16 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 109.014 -0.736 . . . . 73.15 109.014 -175.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.9 t -140.0 126.28 22.25 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.203 0 O-C-N 125.516 1.76 . . . . 73.43 111.887 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.49 164.89 30.8 Favored Glycine 0 CA--C 1.537 1.413 0 N-CA-C 108.127 -1.989 . . . . 71.42 108.127 178.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.7 m -62.01 -25.21 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 O-C-N 121.947 -0.737 . . . . 74.12 111.705 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -110.42 18.93 19.31 Favored 'General case' 0 C--O 1.197 -1.674 0 N-CA-C 114.843 1.423 . . . . 74.44 114.843 -178.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.52 134.33 35.2 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 119.399 -0.92 . . . . 72.44 108.999 -177.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.71 127.88 33.84 Favored 'General case' 0 CA--C 1.554 1.108 0 O-C-N 121.194 -0.941 . . . . 72.24 112.009 -176.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -53.53 -45.26 69.73 Favored 'General case' 0 C--N 1.311 -1.069 0 O-C-N 120.519 -1.363 . . . . 71.32 112.755 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -73.74 -22.6 59.83 Favored 'General case' 0 C--O 1.208 -1.088 0 N-CA-C 112.667 0.617 . . . . 74.24 112.667 -177.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -75.85 -28.63 58.3 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 123.779 1.752 . . . . 72.2 108.362 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 mp -87.77 12.6 12.49 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 113.501 -1.681 . . . . 72.15 112.712 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.4 26.31 16.09 Favored Glycine 0 N--CA 1.48 1.569 0 CA-C-O 123.516 1.62 . . . . 72.14 113.722 178.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -77.18 167.9 54.42 Favored Glycine 0 C--O 1.246 0.875 0 O-C-N 120.626 -1.514 . . . . 74.34 114.758 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.0 t -152.22 162.57 40.95 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 112.68 -1.76 . . . . 63.13 109.159 177.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.74 -29.5 64.59 Favored 'General case' 0 C--O 1.251 1.154 0 N-CA-C 112.804 0.668 . . . . 61.41 112.804 176.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.29 -40.32 81.81 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 122.477 1.132 . . . . 74.31 109.542 172.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.1 tp -71.28 -31.57 67.63 Favored 'General case' 0 C--N 1.31 -1.136 0 O-C-N 121.619 -0.676 . . . . 75.11 111.196 -177.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.0 -25.06 63.32 Favored 'General case' 0 CA--C 1.559 1.307 0 N-CA-C 113.005 0.743 . . . . 64.15 113.005 176.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 65.7 mtt -64.68 -33.83 76.88 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 122.784 1.278 . . . . 71.31 108.439 -178.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -71.11 -39.06 72.29 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-N 114.302 -1.317 . . . . 73.35 110.262 -178.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 32.8 tp -61.6 -48.72 79.66 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-N 115.363 -0.835 . . . . 75.24 109.113 175.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.2 mt -58.36 -37.8 65.68 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.866 0 N-CA-C 113.396 0.888 . . . . 72.23 113.396 177.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.78 -38.02 79.73 Favored 'General case' 0 C--O 1.211 -0.951 0 C-N-CA 120.412 -0.515 . . . . 75.15 110.653 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -70.68 -33.76 71.26 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 121.15 -0.22 . . . . 74.12 110.964 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 55.5 mt -60.69 -29.56 45.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 O-C-N 124.003 0.815 . . . . 75.32 113.151 174.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.3 mtt180 -64.78 -29.89 70.88 Favored 'General case' 0 C--O 1.204 -1.333 0 C-N-CA 118.84 -1.144 . . . . 73.41 111.983 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -79.64 -35.06 39.9 Favored 'General case' 0 C--O 1.196 -1.733 0 N-CA-C 108.055 -1.091 . . . . 73.53 108.055 -178.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -87.42 -44.54 11.27 Favored 'General case' 0 C--O 1.204 -1.295 0 N-CA-C 117.066 2.247 . . . . 71.32 117.066 -174.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.5 mt -107.77 -4.27 18.28 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 108.731 -0.84 . . . . 73.25 108.731 -174.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.56 28.86 73.59 Favored Glycine 0 C--N 1.295 -1.724 0 CA-C-N 113.242 -1.799 . . . . 72.41 115.968 175.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.6 m -149.98 159.0 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 N-CA-C 108.095 -1.076 . . . . 73.31 108.095 -178.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -83.05 115.0 21.67 Favored 'General case' 0 C--N 1.308 -1.204 0 O-C-N 123.552 0.532 . . . . 73.25 110.129 169.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -64.0 124.84 86.5 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 113.489 0.922 . . . . 75.15 113.489 -178.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -66.94 123.8 11.44 Favored 'Trans proline' 0 N--CA 1.484 0.966 0 C-N-CA 115.253 -2.698 . . . . 75.33 113.245 177.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.9 tt -64.55 -19.79 25.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 113.0 0.741 . . . . 72.55 113.0 -175.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -65.55 -41.69 92.7 Favored 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 120.353 -0.539 . . . . 72.35 109.982 178.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -67.19 -41.95 85.0 Favored 'General case' 0 CA--C 1.494 -1.203 0 CA-C-O 122.528 1.156 . . . . 72.31 110.598 -178.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.53 -50.26 74.24 Favored 'General case' 0 C--O 1.211 -0.973 0 CA-C-N 114.327 -1.306 . . . . 75.22 109.602 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -68.71 -34.43 75.63 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 119.91 -1.744 . . . . 75.24 110.135 -175.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.0 m -70.93 -21.55 62.35 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 113.475 0.917 . . . . 73.12 113.475 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.8 m -145.93 80.32 10.5 Favored Pre-proline 0 N--CA 1.481 1.08 0 N-CA-C 109.305 -0.628 . . . . 74.31 109.305 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -76.07 30.64 0.39 Allowed 'Trans proline' 0 C--O 1.253 1.268 0 N-CA-C 118.175 2.337 . . . . 71.14 118.175 -173.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.5 p -117.28 153.37 49.97 Favored Pre-proline 0 C--O 1.205 -1.282 0 N-CA-C 105.617 -1.994 . . . . 75.45 105.617 176.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -66.18 -33.69 39.17 Favored 'Trans proline' 0 CA--C 1.559 1.736 0 C-N-CA 116.354 -1.964 . . . . 75.1 114.697 -176.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.67 -25.19 49.36 Favored 'General case' 0 C--O 1.255 1.39 0 CA-C-O 122.454 1.121 . . . . 73.3 112.515 173.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.48 -45.23 91.03 Favored Glycine 0 C--O 1.219 -0.81 0 CA-C-N 113.024 -1.898 . . . . 72.44 109.16 176.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.8 t -58.19 -43.3 85.39 Favored 'Isoleucine or valine' 0 C--O 1.258 1.54 0 N-CA-C 108.926 -0.768 . . . . 74.34 108.926 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.82 -39.57 85.53 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.582 -0.735 . . . . 61.54 111.025 -175.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.3 mmm-85 -80.41 -41.37 24.68 Favored 'General case' 0 C--O 1.212 -0.913 0 CA-C-O 123.068 1.413 . . . . 74.22 110.465 -176.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.08 -39.9 87.67 Favored 'General case' 0 C--O 1.21 -1.014 0 CA-C-N 114.787 -1.097 . . . . 73.35 110.916 -177.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 CA--C 1.549 0.935 0 O-C-N 119.601 -1.937 . . . . 72.21 109.441 177.668 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.79 0 CA-C-O 118.398 -1.223 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.51 163.82 36.05 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 96.2 mtp -78.91 150.17 32.2 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 123.38 0.425 . . . . 0.0 109.914 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.96 154.16 33.85 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 176.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -68.78 156.79 37.68 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 176.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.16 137.61 95.76 Favored Pre-proline 0 CA--C 1.539 0.523 0 N-CA-C 106.635 -1.617 . . . . 0.0 106.635 174.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -78.25 161.15 29.19 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 117.826 -0.983 . . . . 0.0 114.18 -176.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -81.71 104.0 11.8 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 171.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.6 m -84.35 -179.6 7.22 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.125 0.488 . . . . 0.0 111.61 -175.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.37 -33.57 75.82 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.9 m -56.78 -45.29 82.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.353 0.597 . . . . 0.0 112.053 -176.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -58.57 -34.93 71.62 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.752 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -71.07 -38.78 72.47 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 119.418 -0.325 . . . . 0.0 111.152 -177.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.6 t -67.1 -43.95 88.4 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.861 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.7 mt -62.95 -41.35 99.49 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.415 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.0 m -57.3 -46.82 82.8 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.598 0.237 . . . . 0.0 111.043 174.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.41 -37.01 79.93 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 121.387 -0.82 . . . . 0.0 111.141 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 43.8 mt -66.24 -32.93 74.65 Favored 'General case' 0 C--O 1.214 -0.785 0 O-C-N 121.858 -0.526 . . . . 0.0 111.215 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -59.85 -47.67 84.78 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 174.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.72 -35.89 79.35 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -176.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -65.65 -35.64 81.37 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.485 0.659 . . . . 0.0 111.919 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.3 mm -85.83 -33.62 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.077 0 CA-C-O 122.462 1.125 . . . . 0.0 112.441 -174.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.8 mt -93.92 -25.07 17.45 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 114.231 1.196 . . . . 0.0 114.231 -175.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.72 32.55 57.09 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 120.296 -0.954 . . . . 0.0 113.759 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.8 m -105.83 154.59 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -179.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -64.55 -44.87 89.41 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.604 0.716 . . . . 0.0 111.827 -177.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 87.7 mtt-85 -139.21 157.3 46.17 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.581 -174.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.4 t -136.18 123.23 32.95 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.092 0 O-C-N 127.491 2.994 . . . . 0.0 107.51 175.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.38 168.74 54.04 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 108.989 -1.644 . . . . 0.0 108.989 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -69.45 -20.96 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 121.205 -1.174 . . . . 0.0 111.126 178.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -115.67 20.4 14.67 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -177.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.87 126.64 30.88 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.16 -0.616 . . . . 0.0 111.88 -174.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.87 115.79 17.89 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.21 0.528 . . . . 0.0 110.804 -176.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -49.78 -41.58 44.65 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.859 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 12.2 p-80 -72.31 -26.25 61.87 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -176.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -84.75 -22.96 29.46 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -177.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.9 mt -79.23 11.57 2.8 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.731 174.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.17 4.16 66.91 Favored Glycine 0 C--N 1.331 0.29 0 CA-C-O 121.359 0.422 . . . . 0.0 114.124 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.71 147.38 48.22 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-O 122.486 1.048 . . . . 0.0 115.066 -178.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 79.6 p -137.98 170.29 16.31 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.6 m -61.98 -29.51 70.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.05 0.452 . . . . 0.0 111.203 177.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.32 -34.76 78.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.528 178.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.9 mt -83.97 -34.24 24.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.768 0.318 . . . . 0.0 110.733 176.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.18 -36.8 75.97 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -69.5 -27.24 65.02 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 121.228 -0.92 . . . . 0.0 111.998 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -75.98 -31.59 59.06 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 177.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.6 tp -67.46 -46.41 73.12 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 69.2 mt -59.8 -41.66 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.003 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.44 -45.2 94.52 Favored 'General case' 0 C--O 1.206 -1.204 0 C-N-CA 120.329 -0.548 . . . . 0.0 111.293 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 -64.24 -34.89 79.14 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 121.322 -0.861 . . . . 0.0 111.607 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.1 mt -61.99 -32.38 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.775 0 CA-C-O 121.353 0.597 . . . . 0.0 110.938 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -68.83 -30.25 68.76 Favored 'General case' 0 CA--C 1.503 -0.84 0 C-N-CA 119.576 -0.85 . . . . 0.0 112.497 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -75.74 -39.47 57.13 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 104.165 -2.531 . . . . 0.0 104.165 -174.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -90.05 -46.2 8.65 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.84 -169.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.4 mt -100.73 -7.64 23.56 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-O 121.093 0.473 . . . . 0.0 110.769 -174.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.23 16.83 78.61 Favored Glycine 0 N--CA 1.465 0.625 0 CA-C-N 115.421 -0.809 . . . . 0.0 115.113 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.0 m -139.04 156.19 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 118.066 0.933 . . . . 0.0 111.132 -176.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -84.17 122.73 29.25 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -73.61 120.9 83.58 Favored Pre-proline 0 CA--C 1.543 0.711 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -68.42 106.63 1.45 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 CA-C-O 121.469 0.529 . . . . 0.0 112.809 177.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.7 tt -56.05 -26.36 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -175.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.2 mmm-85 -63.7 -34.63 78.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 120.716 -1.24 . . . . 0.0 110.458 175.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -75.44 -31.85 60.47 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.5 tp -65.5 -41.79 92.81 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 177.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -70.88 -38.24 73.06 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.106 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.3 t -71.77 -28.0 63.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.876 0.37 . . . . 0.0 111.489 -178.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.2 m -142.39 83.88 11.72 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -79.11 32.67 0.47 Allowed 'Trans proline' 0 N--CA 1.48 0.726 0 C-N-CA 121.857 1.705 . . . . 0.0 114.492 -176.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 81.6 p -120.72 153.71 56.95 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 176.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.25 -31.78 17.71 Favored 'Trans proline' 0 CA--C 1.535 0.566 0 C-N-CA 115.593 -2.471 . . . . 0.0 114.401 -173.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.9 -29.21 35.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 121.357 -0.84 . . . . 0.0 109.76 175.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.56 -49.85 53.17 Favored Glycine 0 CA--C 1.5 -0.865 0 C-N-CA 120.192 -1.004 . . . . 0.0 110.674 -177.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.51 -36.93 77.37 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.304 0 CA-C-O 119.49 -0.29 . . . . 0.0 110.369 -176.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.85 -44.14 97.43 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 123.862 0.726 . . . . 0.0 111.682 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -77.36 -31.6 54.45 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.442 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.22 -49.27 67.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.032 0.444 . . . . 0.0 112.104 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.33 -30.93 71.82 Favored 'General case' 0 C--O 1.218 -0.59 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.2 177.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.72 -38.02 85.85 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.773 177.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.89 -34.42 76.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.984 0.421 . . . . 0.0 110.056 178.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -65.19 -26.94 68.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.963 -0.46 . . . . 0.0 111.063 176.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.3 m -95.43 0.91 53.86 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.07 154.3 39.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.378 0.609 . . . . 0.0 110.35 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.8 t -73.94 -4.36 34.69 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -178.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 67.5 p-90 -152.27 153.35 33.56 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 105.663 -1.977 . . . . 0.0 105.663 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 64.0 p -159.63 159.44 33.13 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -92.99 148.62 36.13 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 172.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -70.66 150.14 62.27 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 116.067 -2.155 . . . . 0.0 111.259 176.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -141.66 136.52 30.99 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -84.52 141.18 30.93 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 176.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -139.93 153.47 46.95 Favored 'General case' 0 C--O 1.207 -1.161 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 175.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.3 -1.563 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 176.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 CA-C-O 118.419 -1.212 . . . . 73.52 111.261 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.87 149.27 50.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 118.45 1.125 . . . . 75.02 108.07 176.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.3 tpt -79.59 135.53 36.62 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.261 -0.644 . . . . 73.25 109.261 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.02 149.25 32.24 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.668 -0.864 . . . . 75.33 108.668 177.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -64.6 142.81 58.3 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.018 -0.734 . . . . 75.44 109.018 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.79 151.97 70.54 Favored Pre-proline 0 CA--C 1.545 0.779 0 N-CA-C 109.717 -0.475 . . . . 73.12 109.717 174.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.49 147.29 64.25 Favored 'Trans proline' 0 C--N 1.349 0.576 0 N-CA-C 115.829 1.434 . . . . 71.04 115.829 -175.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -99.81 112.41 24.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.592 -1.186 . . . . 71.11 109.461 173.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.4 t -148.49 168.8 21.75 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.681 -1.229 . . . . 72.35 107.681 174.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.39 -44.1 88.82 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.842 0.682 . . . . 75.21 112.842 -174.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.4 m -60.08 -44.91 94.44 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-O 121.131 0.491 . . . . 74.42 110.541 -177.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.16 -40.04 80.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.854 -0.612 . . . . 70.45 111.045 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -68.4 -35.85 78.27 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.089 0.403 . . . . 74.0 112.089 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.4 t -67.18 -45.1 87.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 107.876 -1.157 . . . . 74.41 107.876 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.4 mt -64.42 -37.98 89.43 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 116.057 -0.52 . . . . 73.23 111.68 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.4 m -58.38 -46.86 85.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.31 -0.244 . . . . 70.21 110.97 174.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.53 -33.69 74.54 Favored 'General case' 0 C--O 1.218 -0.596 0 O-C-N 121.627 -0.671 . . . . 73.23 110.061 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.06 -37.58 88.03 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 119.278 -0.391 . . . . 73.35 110.762 176.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -60.54 -45.01 95.47 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 107.126 -1.435 . . . . 73.4 107.126 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.52 -36.36 80.32 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 114.719 1.377 . . . . 75.53 114.719 -175.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.0 -32.95 69.91 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.823 -0.548 . . . . 75.33 109.853 -177.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.8 mm -84.91 -36.89 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.508 0 N-CA-C 113.693 0.997 . . . . 75.24 113.693 -176.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.2 mt -88.63 -18.25 28.37 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 124.015 0.926 . . . . 74.43 111.924 -177.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.18 32.89 51.05 Favored Glycine 0 C--O 1.226 -0.404 0 C-N-CA 121.152 -0.547 . . . . 74.22 113.092 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.7 m -115.55 154.15 17.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 122.473 -0.428 . . . . 73.54 110.357 -178.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.47 ' HB2' ' HE ' ' A' ' 27' ' ' ARG . 94.0 mt-10 -68.61 -34.95 76.66 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 114.456 1.28 . . . . 75.22 114.456 -176.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.47 ' HE ' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -146.35 158.06 43.85 Favored 'General case' 0 CA--C 1.494 -1.2 0 O-C-N 121.971 -0.456 . . . . 75.2 110.103 -173.443 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.66 137.88 31.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.31 -0.859 . . . . 74.32 109.32 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.35 164.19 39.83 Favored Glycine 0 CA--C 1.518 0.254 0 O-C-N 121.464 -0.773 . . . . 72.11 112.047 175.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -66.66 -22.81 30.3 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.986 0 O-C-N 121.658 -0.907 . . . . 51.42 112.91 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.99 22.85 12.29 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 120.935 0.397 . . . . 71.43 111.092 179.134 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.73 133.01 47.01 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.48 -0.488 . . . . 74.11 110.326 -175.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.43 123.16 27.27 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.524 -0.47 . . . . 64.11 109.791 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -51.64 -39.93 59.03 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.287 0.477 . . . . 72.15 112.287 -178.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -79.0 -14.32 59.27 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 114.863 1.431 . . . . 71.32 114.863 -177.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -71.48 -34.37 70.12 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.695 0.759 . . . . 71.22 109.319 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -82.11 20.1 1.07 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.193 -0.912 . . . . 61.2 110.683 176.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.1 9.72 83.74 Favored Glycine 0 C--O 1.239 0.446 0 O-C-N 121.945 -0.472 . . . . 65.44 113.243 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.8 132.85 49.57 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-O 122.093 0.829 . . . . 73.21 112.69 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.8 m -122.2 165.37 16.26 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.072 -0.564 . . . . 75.32 109.501 -176.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 t -55.9 -36.97 68.25 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.118 0.414 . . . . 71.05 112.118 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.95 -37.58 88.13 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.8 -0.563 . . . . 74.25 111.708 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.5 mt -71.99 -31.18 66.0 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.146 -0.346 . . . . 75.42 110.678 178.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.29 -34.55 75.4 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 116.488 -0.324 . . . . 72.43 110.344 177.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 89.0 mtp -65.38 -31.97 73.36 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 121.427 0.632 . . . . 74.14 110.582 177.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -75.82 -36.53 59.64 Favored 'General case' 0 C--O 1.205 -1.255 0 CA-C-O 121.156 0.503 . . . . 74.33 110.376 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 41.9 tp -58.45 -47.44 84.0 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.475 -1.239 . . . . 72.33 108.841 177.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 57.3 mt -60.45 -38.84 79.26 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 CA-C-N 114.647 -1.161 . . . . 71.35 110.309 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.53 -42.43 98.81 Favored 'General case' 0 C--O 1.207 -1.145 0 C-N-CA 120.396 -0.522 . . . . 73.22 110.98 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 72.3 mtt-85 -67.73 -31.53 71.52 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 113.648 0.981 . . . . 75.22 113.648 178.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.1 mt -61.67 -32.82 54.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 O-C-N 121.445 -0.784 . . . . 75.54 110.28 176.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -66.38 -29.63 69.84 Favored 'General case' 0 C--O 1.219 -0.52 0 O-C-N 121.337 -0.852 . . . . 74.35 112.505 175.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -81.52 -33.94 31.51 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.479 -0.563 . . . . 73.52 109.479 -175.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -91.22 -52.02 5.02 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 115.021 1.489 . . . . 55.34 115.021 -176.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.6 mt -96.61 -8.18 32.38 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 122.43 1.109 . . . . 74.42 109.976 -173.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.77 19.56 79.37 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 114.752 -1.113 . . . . 74.12 114.784 177.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.0 m -140.83 153.25 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-O 121.35 0.595 . . . . 72.43 111.358 -175.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -83.93 109.57 17.71 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.242 -0.651 . . . . 74.33 109.242 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.5 tp -65.94 123.78 85.9 Favored Pre-proline 0 C--N 1.327 -0.403 0 C-N-CA 119.933 -0.707 . . . . 72.23 109.196 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -64.81 123.4 11.61 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 117.878 -0.948 . . . . 73.41 110.015 171.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.0 tt -60.96 -24.29 32.4 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-O 121.336 0.589 . . . . 75.44 111.365 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.2 tpp85 -63.5 -34.55 78.02 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 121.577 -0.702 . . . . 74.11 110.462 176.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -68.28 -36.37 79.29 Favored 'General case' 0 N--CA 1.432 -1.33 0 CA-C-N 119.287 0.949 . . . . 71.34 109.455 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.9 tp -65.68 -43.77 88.24 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.523 0.678 . . . . 62.21 109.704 178.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -69.86 -24.34 63.42 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.835 -0.541 . . . . 63.23 112.111 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.7 m -82.08 -23.72 35.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.073 0.464 . . . . 74.42 110.648 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.6 m -153.2 92.38 3.26 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 109.637 -0.505 . . . . 73.13 109.637 -178.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -80.06 18.86 1.1 Allowed 'Trans proline' 0 CA--C 1.539 0.761 0 N-CA-C 115.978 1.492 . . . . 74.23 115.978 -174.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 39.8 p -111.43 155.84 42.22 Favored Pre-proline 0 CA--C 1.51 -0.579 0 CA-C-N 118.551 0.614 . . . . 74.11 109.754 178.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -68.89 -32.87 21.54 Favored 'Trans proline' 0 C--O 1.252 1.216 0 C-N-CA 115.297 -2.669 . . . . 75.55 113.141 -174.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -79.33 -28.31 42.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 119.864 1.211 . . . . 74.44 112.101 174.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.03 -47.99 69.22 Favored Glycine 0 CA--C 1.5 -0.888 0 N-CA-C 110.407 -1.077 . . . . 75.51 110.407 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.2 p -66.09 -33.7 65.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 C-N-CA 121.34 -0.144 . . . . 71.53 111.307 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.74 -44.39 97.0 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.019 0.928 . . . . 71.34 109.582 176.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 65.2 mtm180 -66.64 -42.14 87.17 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 120.974 -1.079 . . . . 74.23 109.604 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.02 -44.93 87.57 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.646 -0.706 . . . . 53.24 112.81 -176.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.4 pp -73.64 -33.69 64.64 Favored 'General case' 0 C--N 1.314 -0.956 0 O-C-N 121.983 -0.448 . . . . 72.21 110.117 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.14 -44.11 96.48 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.084 -0.646 . . . . 74.32 110.17 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.54 -40.39 96.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 63.31 110.466 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -63.82 -39.47 94.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.635 -0.257 . . . . 73.25 111.255 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.3 t -73.52 -34.17 65.1 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.939 -0.304 . . . . 55.54 110.999 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.35 -20.75 63.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.126 0.489 . . . . 75.55 111.34 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.0 m -81.19 -10.42 59.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.133 -0.485 . . . . 73.53 112.258 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 90.1 m95 50.01 32.26 5.56 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.43 0.692 . . . . 74.04 112.671 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.3 m -64.56 127.93 33.63 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.825 0.676 . . . . 75.53 112.825 -174.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -63.27 151.04 87.92 Favored Pre-proline 0 C--O 1.242 0.704 0 CA-C-N 115.922 -0.581 . . . . 74.43 109.666 176.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -73.34 155.49 51.07 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 116.816 -1.656 . . . . 64.3 111.51 178.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -77.94 -20.98 51.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.996 0.427 . . . . 75.51 110.828 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -113.79 133.91 55.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.92 -0.582 . . . . 73.41 109.854 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -94.13 148.93 21.71 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 106.153 -1.795 . . . . 75.12 106.153 173.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.874 0 N-CA-C 107.462 -1.31 . . . . 74.21 107.462 -173.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.21 -1.367 0 CA-C-O 118.497 -1.168 . . . . 52.44 111.224 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.35 -30.39 61.99 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.215 1.007 . . . . 72.23 109.123 176.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 93.3 mmm -80.67 149.75 29.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.727 -0.669 . . . . 64.1 109.834 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.15 148.55 48.55 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.243 -1.392 . . . . 72.24 107.243 173.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -65.95 116.35 7.0 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.923 -0.311 . . . . 73.2 110.402 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.52 156.11 64.66 Favored Pre-proline 0 C--O 1.252 1.191 0 CA-C-N 116.214 -0.448 . . . . 75.42 111.448 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -72.21 158.05 52.63 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 118.175 -0.75 . . . . 70.44 110.639 172.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -75.93 125.09 28.45 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.038 0.385 . . . . 75.22 112.038 -178.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.1 m -95.11 149.92 20.76 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.276 -1.009 . . . . 74.45 108.276 168.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.49 -36.82 74.36 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 112.56 0.578 . . . . 73.3 112.56 -177.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.3 m -73.19 -38.79 66.01 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.863 0.363 . . . . 72.41 110.956 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -59.06 -44.54 91.84 Favored 'General case' 0 CA--C 1.505 -0.787 0 N-CA-C 113.036 0.754 . . . . 71.0 113.036 -175.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -62.98 -32.99 74.45 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 119.572 -0.851 . . . . 72.12 112.449 -175.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.8 t -70.45 -49.77 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 N-CA-C 109.896 -0.409 . . . . 71.45 109.896 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 pp -69.76 -30.51 68.11 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.51 -0.476 . . . . 72.32 111.668 -178.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.5 m -63.22 -45.09 93.25 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 121.986 -0.446 . . . . 74.22 110.705 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.04 86.29 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.756 -0.59 . . . . 74.04 109.802 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 mp -63.46 -38.57 91.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.969 -0.559 . . . . 71.45 110.566 177.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -57.01 -45.41 83.08 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 106.941 -1.503 . . . . 72.42 106.941 177.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.71 -39.06 87.16 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 113.985 1.106 . . . . 72.4 113.985 -176.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -67.64 -41.76 83.36 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.823 0.675 . . . . 73.44 112.823 177.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 30.0 mm -76.11 -36.82 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.033 0 CA-C-N 114.863 -1.062 . . . . 73.23 111.694 -173.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 mt -91.74 -19.15 22.91 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.375 -0.83 . . . . 73.31 112.271 -177.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.25 34.76 54.29 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.758 -0.734 . . . . 75.25 113.046 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.2 m -111.67 153.3 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-O 121.038 0.447 . . . . 74.01 111.113 -177.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -67.71 -32.06 72.43 Favored 'General case' 0 C--O 1.275 2.405 0 N-CA-C 113.595 0.961 . . . . 74.01 113.595 -174.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.296 43.0 ttp180 -152.8 157.64 41.07 Favored 'General case' 0 N--CA 1.417 -2.097 0 N-CA-C 105.754 -1.943 . . . . 75.24 105.754 -171.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.3 t -134.0 129.71 54.54 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 CA-C-O 122.819 1.295 . . . . 75.04 113.405 172.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.61 169.57 27.43 Favored Glycine 0 N--CA 1.439 -1.152 0 O-C-N 119.591 -1.943 . . . . 75.05 113.572 172.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -66.4 -23.72 32.09 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 N-CA-C 114.977 1.473 . . . . 74.11 114.977 177.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -98.71 3.66 47.7 Favored 'General case' 0 N--CA 1.437 -1.1 0 N-CA-C 115.281 1.586 . . . . 71.25 115.281 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.33 116.84 18.27 Favored 'General case' 0 C--N 1.308 -1.225 0 O-C-N 120.954 -1.091 . . . . 75.15 110.331 -169.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.56 132.72 37.27 Favored 'General case' 0 C--O 1.21 -0.984 0 CA-C-O 122.076 0.941 . . . . 74.04 108.497 -176.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -55.85 -37.25 68.5 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.455 -1.248 . . . . 72.32 109.503 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -78.46 -18.45 54.86 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 120.942 -1.099 . . . . 73.22 113.802 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -81.25 -30.17 34.21 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 106.893 -1.521 . . . . 74.2 106.893 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 78.3 mt -82.55 19.46 1.27 Allowed 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 114.616 -1.175 . . . . 74.43 111.577 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.04 2.78 88.13 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 116.195 1.238 . . . . 73.32 116.195 176.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.76 150.34 49.21 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 115.017 0.767 . . . . 70.15 115.017 -178.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 84.9 p -126.03 170.73 11.44 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 122.875 0.47 . . . . 75.51 109.796 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.1 p -65.3 -30.6 71.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.965 0.412 . . . . 71.42 110.725 177.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.14 -43.62 77.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.395 0.617 . . . . 75.34 109.458 176.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.0 tp -67.55 -32.26 72.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.907 -0.588 . . . . 74.43 110.896 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.38 -31.38 65.74 Favored 'General case' 0 C--O 1.205 -1.239 0 N-CA-C 112.602 0.593 . . . . 74.25 112.602 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.5 mmt -62.27 -31.69 72.3 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 121.71 0.767 . . . . 75.15 110.923 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -75.14 -35.33 61.67 Favored 'General case' 0 CA--C 1.507 -0.694 0 O-C-N 121.667 -0.646 . . . . 74.3 109.973 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 53.0 tp -62.08 -47.35 85.06 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 107.936 -1.135 . . . . 71.45 107.936 177.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 71.2 mt -60.4 -43.59 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-N 115.41 -0.814 . . . . 74.0 109.338 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.84 96.2 Favored 'General case' 0 C--O 1.21 -1.015 0 C-N-CA 121.354 -0.138 . . . . 63.12 111.15 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.58 -39.46 93.78 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 120.942 0.401 . . . . 75.41 111.754 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 79.7 mt -62.04 -29.78 47.24 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.112 0 N-CA-C 112.448 0.536 . . . . 70.34 112.448 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -66.19 -31.39 72.2 Favored 'General case' 0 C--O 1.172 -3.005 0 N-CA-C 112.836 0.68 . . . . 74.54 112.836 177.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -78.52 -38.98 39.31 Favored 'General case' 0 CA--C 1.487 -1.465 0 N-CA-C 106.241 -1.763 . . . . 75.23 106.241 -176.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -82.23 -43.59 17.43 Favored 'General case' 0 CA--C 1.562 1.441 0 CA-C-O 121.677 0.751 . . . . 74.34 112.062 -170.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.2 mt -112.88 -4.7 13.92 Favored 'General case' 0 C--N 1.358 0.962 0 O-C-N 121.834 -0.541 . . . . 73.31 110.38 -169.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.96 17.62 79.45 Favored Glycine 0 N--CA 1.475 1.265 0 C-N-CA 120.441 -0.885 . . . . 72.21 114.392 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.4 m -140.63 148.29 22.17 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 CA-C-O 121.661 0.743 . . . . 61.11 112.622 -177.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -77.3 117.84 19.2 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 107.644 -1.243 . . . . 75.33 107.644 173.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.3 tp -61.97 126.95 88.47 Favored Pre-proline 0 CA--C 1.539 0.521 0 N-CA-C 108.201 -1.037 . . . . 74.43 108.201 176.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -63.68 118.93 5.84 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 117.328 -1.314 . . . . 74.53 111.228 176.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.8 tt -62.51 -25.28 37.55 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 O-C-N 121.798 -0.564 . . . . 72.42 110.693 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -61.38 -41.3 96.87 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 122.084 -0.385 . . . . 75.35 110.545 175.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -69.21 -38.09 78.4 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 118.039 0.381 . . . . 72.15 110.358 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.4 tp -64.96 -43.96 90.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.503 -0.317 . . . . 74.03 110.623 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.4 m-30 -69.88 -31.32 69.07 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.201 0.445 . . . . 74.41 112.201 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.0 m -76.11 -22.94 54.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.128 0.49 . . . . 63.43 111.563 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 65.6 m -150.23 86.31 5.22 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.521 -0.308 . . . . 74.34 110.276 -178.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -78.6 24.37 0.57 Allowed 'Trans proline' 0 CA--C 1.539 0.773 0 N-CA-C 116.02 1.508 . . . . 75.23 116.02 -176.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.6 p -115.75 155.09 48.02 Favored Pre-proline 0 C--O 1.237 0.417 0 N-CA-C 106.992 -1.484 . . . . 75.12 106.992 175.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -66.85 -36.41 23.61 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 N-CA-C 114.527 0.934 . . . . 75.03 114.527 -177.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.6 -31.46 63.58 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 121.416 -0.803 . . . . 63.2 109.791 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.4 -49.97 41.44 Favored Glycine 0 N--CA 1.442 -0.949 0 N-CA-C 110.285 -1.126 . . . . 72.31 110.285 -177.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.0 p -66.28 -32.45 58.12 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.561 0 O-C-N 122.128 -0.631 . . . . 73.4 110.592 -177.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.24 -48.92 77.84 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 120.278 -0.569 . . . . 73.13 112.138 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.9 ptt-85 -69.56 -32.29 70.99 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 119.5 -0.88 . . . . 74.24 109.688 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.97 -41.01 78.5 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 121.093 0.473 . . . . 74.12 111.167 -177.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 pp -77.16 -29.84 54.72 Favored 'General case' 0 C--N 1.317 -0.846 0 O-C-N 122.034 -0.416 . . . . 71.14 111.352 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.56 -35.15 73.7 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.67 0.271 . . . . 74.32 111.078 177.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.17 -27.67 68.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.079 0.466 . . . . 75.13 111.792 178.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -77.18 -11.11 59.78 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 112.971 0.73 . . . . 74.32 112.971 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.3 t -67.4 -34.25 76.87 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.639 -0.504 . . . . 74.41 109.639 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.81 -34.22 77.66 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-O 121.031 0.444 . . . . 73.41 110.427 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.1 p -89.19 3.24 52.61 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.773 0.657 . . . . 74.3 112.773 -178.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -84.59 -28.03 26.83 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.207 -1.405 . . . . 74.33 107.207 176.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.3 m -64.92 140.78 58.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.131 -0.94 . . . . 72.4 110.515 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -68.0 150.22 97.86 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.437 -0.347 . . . . 72.34 111.234 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -72.01 158.82 51.7 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 118.487 -0.542 . . . . 75.11 111.307 177.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -63.93 -33.9 76.75 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.079 0.466 . . . . 75.12 110.96 178.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -100.25 108.04 20.02 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.592 -1.633 . . . . 72.53 106.592 174.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -80.61 132.75 35.66 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.551 -0.537 . . . . 71.33 109.551 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.189 0 N-CA-C 104.648 -2.353 . . . . 75.15 104.648 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.285 0 CA-C-O 118.401 -1.222 . . . . 61.2 111.506 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.29 155.25 40.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 118.371 1.085 . . . . 71.14 108.102 175.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 65.8 mtt -87.53 149.41 24.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.809 0.338 . . . . 73.22 110.395 177.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.06 157.43 34.83 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 105.605 -1.998 . . . . 64.11 105.605 168.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -67.03 134.62 52.28 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.872 -1.159 . . . . 74.05 107.872 177.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.09 150.07 94.7 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 109.061 -0.718 . . . . 70.03 109.061 -178.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -77.9 -178.47 4.64 Favored 'Trans proline' 0 C--N 1.351 0.701 0 O-C-N 122.447 0.709 . . . . 73.02 111.5 175.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.87 153.14 44.21 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.013 -0.54 . . . . 73.15 110.97 177.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.5 t -130.19 146.68 51.84 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 122.107 0.956 . . . . 45.0 111.287 -178.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.88 -27.6 55.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.221 -0.899 . . . . 71.24 111.407 178.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.2 m -54.48 -46.3 73.35 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.088 0.773 . . . . 71.14 113.088 -172.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.01 -38.51 76.29 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 121.361 0.6 . . . . 74.42 110.533 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -73.94 -34.61 64.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.295 -0.412 . . . . 71.44 111.209 -175.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.1 t -66.97 -45.38 87.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 107.216 -1.402 . . . . 74.23 107.216 177.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.0 mt -66.27 -39.31 89.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.438 -0.346 . . . . 71.43 111.68 -178.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 49.6 m -57.89 -45.79 85.9 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.999 -0.28 . . . . 74.14 110.375 175.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.17 -39.2 82.61 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.595 0.712 . . . . 74.44 111.502 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 tp -62.01 -33.51 74.48 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.507 -0.746 . . . . 75.14 112.47 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -61.92 -44.97 95.69 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.478 -1.304 . . . . 73.41 107.478 175.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.28 -40.69 97.08 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 120.049 -0.661 . . . . 72.5 112.728 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -64.08 -32.06 73.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.409 0.623 . . . . 75.31 111.924 -178.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 34.9 mm -91.01 -37.71 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.916 0 N-CA-C 114.563 1.32 . . . . 73.12 114.563 -175.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.5 mt -89.34 -21.18 23.24 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.712 -0.676 . . . . 65.15 112.581 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.2 26.87 60.93 Favored Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.094 -1.051 . . . . 73.12 113.543 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -102.38 151.62 5.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 121.992 -0.711 . . . . 73.24 111.421 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -68.52 -29.82 68.49 Favored 'General case' 0 C--O 1.246 0.906 0 N-CA-C 112.827 0.677 . . . . 73.1 112.827 -174.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -147.16 149.72 33.53 Favored 'General case' 0 CA--C 1.505 -0.787 0 O-C-N 121.397 -0.814 . . . . 74.2 109.687 -172.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.3 t -138.65 131.13 38.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 106.502 -1.666 . . . . 70.24 106.502 175.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.64 171.48 30.5 Favored Glycine 0 CA--C 1.533 1.197 0 N-CA-C 110.017 -1.233 . . . . 71.34 110.017 175.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.1 m -71.59 -22.22 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 N-CA-C 113.198 0.814 . . . . 74.15 113.198 -177.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -111.84 17.9 19.36 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.47 -1.241 . . . . 75.32 110.3 -177.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.38 122.43 22.95 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.395 -0.522 . . . . 74.11 110.859 -176.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.62 127.25 32.66 Favored 'General case' 0 C--O 1.211 -0.935 0 N-CA-C 108.613 -0.884 . . . . 72.3 108.613 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -56.03 -35.89 67.36 Favored 'General case' 0 C--O 1.211 -0.928 0 CA-C-N 116.192 -0.458 . . . . 74.01 110.913 -178.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -79.97 -20.93 44.4 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 114.349 1.24 . . . . 74.43 114.349 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -74.13 -33.68 63.63 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 122.616 1.198 . . . . 71.43 108.202 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.2 mt -79.95 22.23 0.51 Allowed 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 114.287 -1.324 . . . . 71.21 112.76 177.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.94 27.73 52.4 Favored Glycine 0 N--CA 1.464 0.543 0 N-CA-C 114.654 0.621 . . . . 74.3 114.654 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.15 156.52 52.07 Favored Glycine 0 CA--C 1.523 0.566 0 CA-C-O 122.471 1.039 . . . . 72.41 115.636 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.7 t -143.01 158.12 43.9 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.021 -1.103 . . . . 64.14 108.021 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.8 p -63.7 -32.34 73.8 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.57 -0.9 . . . . 75.11 108.57 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.19 -29.46 70.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.162 -0.927 . . . . 63.43 110.809 178.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.5 mt -88.67 -29.08 20.17 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 122.346 -0.222 . . . . 72.15 110.988 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.21 -43.03 87.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.649 0.261 . . . . 63.42 110.404 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 27.7 ptm -69.75 -27.05 64.62 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.481 -0.488 . . . . 71.03 111.754 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -74.72 -31.39 61.83 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.232 0.539 . . . . 75.34 109.705 176.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 48.2 tp -67.86 -46.68 71.04 Favored 'General case' 0 C--O 1.212 -0.884 0 N-CA-C 108.15 -1.056 . . . . 72.32 108.15 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.6 mt -61.08 -37.9 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-N 116.253 -0.43 . . . . 74.43 110.26 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.26 99.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.139 0.495 . . . . 64.23 109.848 177.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -68.53 -32.98 73.31 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.568 0.951 . . . . 74.22 113.568 177.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.6 mt -59.23 -35.26 56.9 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 CA-C-O 122.776 1.274 . . . . 74.23 111.627 176.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -60.9 -28.61 69.03 Favored 'General case' 0 CA--C 1.511 -0.53 0 O-C-N 120.589 -1.319 . . . . 75.34 113.425 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -81.12 -40.22 24.37 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 106.85 -1.537 . . . . 74.41 106.85 -175.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -82.51 -52.45 6.84 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.097 -0.956 . . . . 72.24 112.474 -170.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.7 mt -96.57 -9.44 29.44 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-N 115.749 -0.66 . . . . 71.2 110.562 -175.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.65 18.91 79.64 Favored Glycine 0 C--N 1.339 0.695 0 N-CA-C 115.904 1.122 . . . . 54.11 115.904 178.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.5 m -139.1 152.05 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 121.37 0.605 . . . . 71.42 111.66 -175.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -84.22 98.39 9.92 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.991 -1.115 . . . . 74.21 107.991 175.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -71.11 121.03 83.01 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-O 121.373 0.606 . . . . 74.31 111.177 -174.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -61.7 132.67 41.29 Favored 'Trans proline' 0 C--N 1.345 0.394 0 N-CA-C 111.473 -0.241 . . . . 73.24 111.473 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.5 tt -61.58 -22.81 28.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 O-C-N 121.744 -0.597 . . . . 74.42 111.427 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -64.98 -33.21 75.51 Favored 'General case' 0 C--O 1.207 -1.172 0 O-C-N 121.923 -0.486 . . . . 75.24 111.091 175.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -40.79 76.59 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 108.49 -0.93 . . . . 73.13 108.49 177.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.4 tp -65.64 -46.16 80.29 Favored 'General case' 0 C--O 1.213 -0.853 0 CA-C-N 116.627 -0.261 . . . . 71.44 111.567 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -71.57 -25.4 62.18 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.703 0.631 . . . . 73.24 112.703 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.8 t -69.43 -30.8 68.82 Favored 'General case' 0 CA--C 1.509 -0.626 0 C-N-CA 120.958 -0.297 . . . . 72.12 110.723 178.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.9 m -151.5 90.06 4.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 108.847 -0.797 . . . . 64.32 108.847 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -79.23 27.81 0.51 Allowed 'Trans proline' 0 C--N 1.354 0.841 0 N-CA-C 116.278 1.607 . . . . 73.12 116.278 -173.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.0 p -116.8 152.36 48.42 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 106.364 -1.717 . . . . 72.5 106.364 178.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -66.63 -32.77 37.71 Favored 'Trans proline' 0 CA--C 1.536 0.616 0 C-N-CA 113.582 -3.812 . . . . 74.02 114.428 -173.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.92 -31.55 63.13 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 120.904 -1.123 . . . . 72.21 109.615 175.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -64.62 -44.55 94.84 Favored Glycine 0 C--O 1.222 -0.602 0 C-N-CA 120.558 -0.829 . . . . 65.12 111.762 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.1 t -57.57 -41.64 79.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 108.665 -0.865 . . . . 73.32 108.665 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.51 98.99 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-O 121.077 0.465 . . . . 74.05 111.169 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 65.7 mtm180 -68.47 -40.44 81.01 Favored 'General case' 0 C--N 1.308 -1.208 0 O-C-N 121.198 -0.939 . . . . 75.42 110.352 178.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.54 -36.8 84.89 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.996 -0.547 . . . . 74.23 111.937 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 pp -80.45 -34.74 35.74 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 122.12 -0.363 . . . . 73.42 111.531 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.21 -31.61 72.79 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.325 0.584 . . . . 64.41 111.018 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.62 -22.45 63.79 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.461 0.541 . . . . 74.32 112.461 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -65.56 -43.62 89.3 Favored 'General case' 0 C--O 1.219 -0.543 0 O-C-N 122.07 -0.394 . . . . 75.31 111.952 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.1 p -75.74 -27.02 57.96 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 110.012 -0.366 . . . . 72.33 110.012 -177.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.44 -30.38 65.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.465 -0.334 . . . . 63.42 110.735 176.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.6 m -92.5 -22.18 19.71 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 114.182 1.179 . . . . 75.22 114.182 -175.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -134.25 135.87 43.22 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 121.088 0.47 . . . . 72.32 111.962 -174.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 45.2 t -67.46 124.57 23.56 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 107.076 -1.453 . . . . 74.3 107.076 174.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -72.52 129.26 87.4 Favored Pre-proline 0 C--N 1.316 -0.87 0 CA-C-O 120.574 0.226 . . . . 74.11 110.758 -177.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.42 -9.6 16.18 Favored 'Trans proline' 0 C--N 1.349 0.593 0 N-CA-C 113.896 0.691 . . . . 72.04 113.896 -178.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -140.84 162.01 36.45 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 103.31 -2.848 . . . . 75.22 103.31 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -68.32 162.33 25.44 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.182 0.515 . . . . 74.52 110.428 -175.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -120.71 170.13 9.74 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.754 -1.573 . . . . 63.22 106.754 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp . . . . . 0 C--O 1.25 1.079 0 CA-C-O 117.042 -1.456 . . . . 74.24 111.142 -176.72 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.629 0 CA-C-O 118.61 -1.105 . . . . 72.23 111.147 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.86 153.29 44.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 118.187 0.993 . . . . 71.25 109.155 177.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 57.4 ttm -104.52 148.64 26.25 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.336 -1.357 . . . . 74.11 107.336 178.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.82 150.12 49.07 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 108.752 -0.833 . . . . 53.33 108.752 176.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -65.62 136.24 56.08 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 107.422 -1.325 . . . . 74.31 107.422 176.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.13 149.56 93.82 Favored Pre-proline 0 CA--C 1.546 0.821 0 N-CA-C 109.895 -0.409 . . . . 70.41 109.895 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -74.98 166.96 28.12 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 118.371 -0.619 . . . . 75.33 111.445 177.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.57 129.51 40.13 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.816 -0.809 . . . . 52.32 108.816 176.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.5 m -79.28 160.47 26.81 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.184 0.516 . . . . 71.03 111.437 -177.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.61 -37.18 70.32 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.553 0.575 . . . . 63.33 112.553 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.0 m -73.63 -40.78 63.53 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.088 0.47 . . . . 74.3 110.909 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -62.39 -42.0 99.08 Favored 'General case' 0 C--O 1.213 -0.863 0 CA-C-N 116.225 -0.443 . . . . 72.34 112.002 -176.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -64.23 -30.72 71.77 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 120.247 -0.581 . . . . 73.35 112.501 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.9 t -71.06 -45.69 70.93 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.56 0 N-CA-C 107.153 -1.425 . . . . 73.42 107.153 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.2 mt -63.66 -43.41 96.81 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.034 -0.53 . . . . 73.21 110.717 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.7 m -57.5 -46.49 83.7 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-O 120.739 0.304 . . . . 75.21 111.307 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.35 -36.28 74.09 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 119.834 -0.746 . . . . 72.32 111.068 -178.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mp -66.35 -31.49 72.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.134 -0.354 . . . . 75.24 111.856 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -60.06 -53.12 61.58 Favored 'General case' 0 C--O 1.203 -1.362 0 N-CA-C 106.18 -1.785 . . . . 73.45 106.18 172.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.11 -46.87 84.84 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.219 0.822 . . . . 61.14 113.219 -175.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -60.64 -33.86 73.43 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.309 0.576 . . . . 74.1 112.378 -177.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 89.9 mt -92.63 -39.89 11.63 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 N-CA-C 112.605 0.594 . . . . 71.52 112.605 -176.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.8 mt -77.54 -25.37 50.09 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.129 0.571 . . . . 75.55 111.279 -177.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.23 35.04 49.9 Favored Glycine 0 C--N 1.329 0.187 0 C-N-CA 120.486 -0.864 . . . . 74.23 112.639 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -109.02 157.23 9.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 121.216 0.531 . . . . 75.13 111.777 -176.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -63.95 -40.24 95.97 Favored 'General case' 0 C--O 1.244 0.797 0 N-CA-C 114.12 1.155 . . . . 74.31 114.12 -176.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -149.51 162.37 40.29 Favored 'General case' 0 CA--C 1.49 -1.353 0 O-C-N 121.963 -0.461 . . . . 73.45 110.483 -177.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.9 t -139.11 126.42 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.66 0 N-CA-C 106.763 -1.569 . . . . 73.11 106.763 175.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.49 165.06 29.66 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 109.706 -1.358 . . . . 75.41 109.706 173.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -25.33 33.7 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 117.894 0.847 . . . . 74.22 112.164 177.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -110.68 19.49 18.6 Favored 'General case' 0 C--O 1.21 -0.992 0 O-C-N 121.968 -0.457 . . . . 73.02 111.784 -177.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.96 130.78 35.55 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 120.323 -0.551 . . . . 74.45 112.385 -175.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.22 124.53 27.96 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.573 0.701 . . . . 75.4 111.284 -176.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -53.14 -40.57 64.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.494 -0.775 . . . . 70.22 111.722 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -78.98 -22.16 46.01 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 114.438 1.273 . . . . 74.31 114.438 -177.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -75.45 -32.31 60.59 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 107.252 -1.388 . . . . 65.42 107.252 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.6 mp -81.58 15.26 2.18 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 113.844 -1.526 . . . . 75.02 110.56 176.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.17 1.01 79.73 Favored Glycine 0 C--O 1.214 -1.149 0 N-CA-C 117.301 1.68 . . . . 74.1 117.301 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -73.84 101.53 1.22 Allowed Glycine 0 C--N 1.317 -0.484 0 N-CA-C 115.945 1.138 . . . . 52.23 115.945 -176.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.3 p -72.03 163.89 27.09 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.108 0.48 . . . . 75.34 110.691 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.8 t -64.68 -23.95 67.42 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.736 -0.602 . . . . 64.11 111.447 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.38 -38.5 74.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.621 0.724 . . . . 73.32 109.242 177.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.3 tp -71.02 -32.58 69.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.593 -0.73 . . . . 72.1 110.475 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.5 -31.76 62.31 Favored 'General case' 0 C--O 1.206 -1.185 0 N-CA-C 112.708 0.633 . . . . 62.22 112.708 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.6 mmt -64.1 -30.72 71.77 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 121.486 -0.759 . . . . 64.14 111.761 177.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -76.35 -32.83 58.86 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.397 -0.815 . . . . 74.03 109.389 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 43.7 tp -60.88 -47.4 86.57 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 108.933 -0.766 . . . . 75.24 108.933 176.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.9 mt -61.71 -40.35 86.5 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 CA-C-N 115.75 -0.659 . . . . 75.04 110.576 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.49 94.06 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 120.857 -0.337 . . . . 72.14 111.428 177.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -65.85 -33.08 75.02 Favored 'General case' 0 C--O 1.208 -1.116 0 O-C-N 122.924 0.14 . . . . 61.04 111.186 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.9 mt -64.13 -27.46 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.68 0 O-C-N 123.915 0.76 . . . . 73.33 110.036 -177.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -65.12 -31.62 72.91 Favored 'General case' 0 C--O 1.202 -1.397 0 CA-C-O 121.85 0.834 . . . . 75.54 112.273 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -80.7 -34.27 34.71 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.893 -0.781 . . . . 72.24 108.893 -175.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -88.29 -45.39 10.08 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 113.554 -1.657 . . . . 72.4 112.375 -174.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 61.3 mt -102.18 -7.99 21.72 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-N 118.911 0.778 . . . . 73.3 110.758 -174.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.77 20.16 79.62 Favored Glycine 0 N--CA 1.465 0.594 0 CA-C-N 115.547 -0.751 . . . . 72.24 113.868 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.7 p -145.77 149.31 16.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.893 0.346 . . . . 74.14 110.453 -175.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -81.14 121.65 26.38 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.754 -0.832 . . . . 73.22 108.754 174.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -66.06 122.38 80.85 Favored Pre-proline 0 C--O 1.241 0.635 0 N-CA-C 109.764 -0.458 . . . . 73.42 109.764 -177.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -67.47 112.06 2.49 Favored 'Trans proline' 0 C--N 1.345 0.39 0 CA-C-O 121.62 0.592 . . . . 74.23 111.832 176.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.6 tt -58.05 -22.67 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 113.431 0.901 . . . . 74.04 113.431 -175.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -61.9 -42.83 99.55 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.717 -0.614 . . . . 73.42 110.603 174.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -76.8 -25.02 52.84 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 110.144 -0.317 . . . . 73.24 110.144 -177.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.8 tp -65.11 -46.66 80.13 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.002 0.429 . . . . 73.32 110.873 173.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -75.05 -22.41 58.41 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.342 -0.39 . . . . 74.03 110.788 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.9 t -63.32 -34.42 77.65 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 122.847 0.459 . . . . 75.4 109.98 177.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 39.7 m -158.65 101.85 1.65 Allowed Pre-proline 0 C--N 1.329 -0.307 0 N-CA-C 109.233 -0.655 . . . . 75.23 109.233 176.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -76.95 42.68 1.14 Allowed 'Trans proline' 0 C--O 1.213 -0.738 0 C-N-CA 121.464 1.443 . . . . 75.03 113.658 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 46.8 p -126.18 151.44 72.02 Favored Pre-proline 0 CA--C 1.509 -0.618 0 N-CA-C 105.567 -2.012 . . . . 74.22 105.567 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -66.68 -33.74 34.27 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 114.64 -3.107 . . . . 72.22 114.619 -173.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.85 -30.33 58.88 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.918 0.866 . . . . 71.34 110.067 175.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -64.24 -43.63 96.74 Favored Glycine 0 C--O 1.217 -0.916 0 N-CA-C 110.72 -0.952 . . . . 71.23 110.72 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.42 -47.6 92.7 Favored 'Isoleucine or valine' 0 C--O 1.27 2.149 0 N-CA-C 110.046 -0.353 . . . . 73.52 110.046 176.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.84 -50.2 71.22 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.631 1.173 . . . . 75.42 112.89 177.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 22.2 ptt-85 -67.37 -33.88 76.14 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 120.029 -1.669 . . . . 74.32 110.022 -177.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.65 -41.97 71.43 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-O 121.451 0.643 . . . . 60.01 112.328 -177.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 pp -77.88 -23.64 48.73 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.04 -0.527 . . . . 73.15 111.773 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.72 -27.29 39.62 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 113.269 0.841 . . . . 62.22 113.269 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.53 -28.98 69.7 Favored 'General case' 0 CA--C 1.55 0.964 0 O-C-N 122.067 -0.396 . . . . 74.11 111.489 176.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -73.15 -18.02 61.32 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 122.12 -0.362 . . . . 72.21 111.968 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.4 t -78.16 -7.58 57.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.581 -0.281 . . . . 74.31 110.476 -178.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 58.86 19.27 6.85 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.072 0.949 . . . . 63.55 112.444 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.4 p -79.99 24.89 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 123.882 0.873 . . . . 75.02 112.261 -178.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 32.2 m-90 58.28 22.05 8.88 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.269 1.028 . . . . 75.1 112.056 -176.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.5 m -74.75 137.29 41.91 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.206 -0.664 . . . . 64.34 109.206 177.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -73.9 129.34 85.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.344 -0.389 . . . . 72.54 111.027 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -75.45 175.19 11.6 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 117.843 -0.971 . . . . 75.21 110.759 174.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -116.72 166.16 12.45 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.668 -0.864 . . . . 75.44 108.668 174.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -73.15 132.32 43.1 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.506 -0.924 . . . . 73.4 108.506 175.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -140.5 148.48 41.15 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.403 -1.332 . . . . 75.24 107.403 173.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.4 tptt . . . . . 0 C--O 1.245 0.832 0 CA-C-O 116.978 -1.487 . . . . 75.24 109.919 179.057 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.378 0 N-CA-C 111.287 -0.725 . . . . 64.11 111.287 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.56 153.19 29.66 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.836 -0.801 . . . . 72.41 108.836 177.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.2 ptt? -78.05 156.15 30.24 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 123.256 0.623 . . . . 73.22 111.941 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.8 159.69 31.64 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 122.519 0.328 . . . . 72.41 110.9 177.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -83.62 133.37 34.84 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 109.54 -0.541 . . . . 71.14 109.54 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.33 159.01 75.96 Favored Pre-proline 0 CA--C 1.552 1.048 0 C-N-CA 120.364 -0.534 . . . . 74.11 110.208 178.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.3 163.6 38.16 Favored 'Trans proline' 0 C--O 1.256 1.381 0 N-CA-C 110.203 -0.73 . . . . 72.41 110.203 177.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -80.02 157.59 26.73 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 114.639 1.348 . . . . 64.15 114.639 -173.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -92.85 176.99 6.23 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.118 -0.946 . . . . 74.01 110.576 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.77 -32.66 73.86 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 113.173 0.805 . . . . 74.4 113.173 -177.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.6 m -63.72 -39.69 94.92 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.516 0.674 . . . . 73.13 111.258 -176.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -57.72 -38.77 75.86 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 115.592 -0.731 . . . . 73.11 111.204 178.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -65.44 -39.04 91.59 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 111.513 0.19 . . . . 73.24 111.513 -177.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.3 t -68.99 -42.94 82.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.202 -1.036 . . . . 75.04 108.202 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.8 mt -63.03 -40.16 96.89 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 116.021 -0.536 . . . . 71.01 110.591 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 66.7 m -58.84 -45.09 90.87 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 111.851 0.315 . . . . 72.44 111.851 176.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.56 -38.69 87.64 Favored 'General case' 0 C--O 1.24 0.585 0 C-N-CA 120.103 -0.639 . . . . 72.43 111.312 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 46.7 mt -67.07 -32.21 73.24 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-O 121.42 0.629 . . . . 73.04 111.815 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -61.86 -42.97 99.69 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 108.972 -0.751 . . . . 73.43 108.972 174.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.9 98.5 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 113.296 0.85 . . . . 73.42 113.296 -176.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -70.68 -25.4 62.96 Favored 'General case' 0 C--N 1.314 -0.968 0 O-C-N 121.531 -0.73 . . . . 73.41 112.627 -178.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.0 mm -86.33 -40.64 14.47 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 114.029 1.122 . . . . 75.1 114.029 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.0 mt -88.81 -19.43 25.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.043 -0.526 . . . . 72.21 111.458 -176.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.9 23.87 68.28 Favored Glycine 0 C--O 1.239 0.43 0 N-CA-C 113.659 0.224 . . . . 50.04 113.659 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.3 m -98.19 157.61 3.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-O 121.494 0.664 . . . . 75.33 111.893 -175.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -65.32 -41.03 94.41 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 115.061 -0.972 . . . . 73.53 112.726 -174.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.9 mtm180 -144.61 160.06 41.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.306 -0.861 . . . . 74.32 109.517 -177.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.7 t -134.32 125.57 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 O-C-N 124.569 1.168 . . . . 71.22 107.871 176.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.92 161.4 30.56 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 109.151 -1.579 . . . . 65.24 109.151 176.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.0 m -66.98 -15.55 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 O-C-N 121.284 -1.127 . . . . 74.15 112.043 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.4 18.65 13.59 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.186 0.517 . . . . 63.33 111.45 -178.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.85 136.82 40.17 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 120.054 -0.659 . . . . 73.22 110.04 -175.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.78 116.15 22.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.242 -0.436 . . . . 64.45 110.72 -177.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -50.93 -41.31 58.75 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.901 -0.591 . . . . 74.4 112.379 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -74.21 -28.29 61.2 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.236 0.828 . . . . 75.44 113.236 -176.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -75.8 -34.77 60.18 Favored 'General case' 0 C--O 1.211 -0.922 0 N-CA-C 108.582 -0.895 . . . . 73.5 108.582 -176.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.9 mp -75.88 24.23 0.13 Allowed 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 114.788 -1.096 . . . . 71.51 112.487 178.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.23 15.81 60.08 Favored Glycine 0 CA--C 1.524 0.642 0 CA-C-O 121.881 0.711 . . . . 65.14 113.505 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.82 151.27 51.23 Favored Glycine 0 C--O 1.226 -0.393 0 CA-C-O 122.595 1.108 . . . . 74.51 114.6 -178.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 52.0 m -143.33 159.66 41.95 Favored 'General case' 0 C--O 1.217 -0.618 0 N-CA-C 108.29 -1.004 . . . . 72.21 108.29 -178.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.6 t -60.32 -36.03 76.99 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.688 0.756 . . . . 72.23 110.151 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.14 -38.6 91.12 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 121.719 -0.613 . . . . 65.31 111.801 177.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.4 mt -72.81 -30.14 63.82 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 122.329 -0.232 . . . . 71.22 110.696 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.27 -41.71 99.05 Favored 'General case' 0 C--O 1.207 -1.158 0 CA-C-O 121.437 0.637 . . . . 44.24 109.763 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 97.4 mmm -63.89 -36.51 84.17 Favored 'General case' 0 C--O 1.243 0.736 0 O-C-N 121.572 -0.705 . . . . 75.34 110.817 177.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -67.08 -41.64 86.03 Favored 'General case' 0 C--O 1.21 -1.012 0 CA-C-O 120.966 0.412 . . . . 73.41 111.807 176.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.0 tp -59.58 -45.55 91.54 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-O 121.164 0.507 . . . . 73.3 110.217 178.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 59.1 mt -59.69 -36.67 67.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 122.161 -0.337 . . . . 74.24 110.561 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.3 -42.6 99.5 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 120.502 -0.479 . . . . 65.24 111.143 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.5 mmt85 -67.67 -31.57 71.65 Favored 'General case' 0 C--O 1.209 -1.038 0 CA-C-O 121.348 0.594 . . . . 74.54 111.934 179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.37 -31.61 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 N-CA-C 109.646 -0.502 . . . . 62.01 109.646 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -67.44 -28.85 68.23 Favored 'General case' 0 CA--C 1.513 -0.468 0 O-C-N 121.548 -0.72 . . . . 73.14 112.078 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -79.86 -39.23 31.03 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 109.106 -0.701 . . . . 73.33 109.106 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -85.97 -48.49 8.64 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 115.522 1.675 . . . . 71.01 115.522 -173.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.8 mt -103.24 -6.24 22.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.528 -0.732 . . . . 74.02 110.784 -176.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.93 20.33 77.66 Favored Glycine 0 C--N 1.33 0.205 0 N-CA-C 115.97 1.148 . . . . 62.5 115.97 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.6 m -137.64 154.95 30.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.489 0.661 . . . . 74.43 110.887 -174.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -89.24 107.19 18.91 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.844 -0.798 . . . . 75.0 108.844 174.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -79.98 116.36 60.72 Favored Pre-proline 0 CA--C 1.556 1.187 0 N-CA-C 109.622 -0.51 . . . . 63.3 109.622 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -60.77 135.86 62.72 Favored 'Trans proline' 0 CA--C 1.549 1.265 0 N-CA-C 113.926 0.702 . . . . 74.11 113.926 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.1 tt -62.84 -23.2 32.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 O-C-N 121.808 -0.557 . . . . 74.3 111.157 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -60.63 -32.25 71.4 Favored 'General case' 0 C--O 1.207 -1.163 0 O-C-N 121.413 -0.804 . . . . 75.42 110.202 175.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.51 -38.86 71.09 Favored 'General case' 0 C--O 1.204 -1.337 0 N-CA-C 109.83 -0.433 . . . . 73.13 109.83 -178.033 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.3 mt -67.99 -41.54 82.16 Favored 'General case' 0 C--O 1.21 -1.005 0 CA-C-N 117.792 0.269 . . . . 64.32 110.882 176.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -66.88 -32.28 73.44 Favored 'General case' 0 C--O 1.211 -0.939 0 O-C-N 121.917 -0.489 . . . . 72.24 111.068 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.4 t -79.7 -25.95 41.04 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 121.458 0.647 . . . . 73.34 110.395 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.5 m -146.88 87.31 6.3 Favored Pre-proline 0 C--O 1.222 -0.37 0 CA-C-N 116.015 -0.539 . . . . 72.31 109.751 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -80.12 20.12 0.96 Allowed 'Trans proline' 0 CA--C 1.536 0.616 0 N-CA-C 116.971 1.873 . . . . 70.11 116.971 -175.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.4 p -114.37 153.7 46.5 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 107.446 -1.316 . . . . 65.1 107.446 177.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.31 -31.87 27.54 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 116.71 -1.727 . . . . 71.02 114.172 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.51 -29.32 61.36 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 121.09 -1.007 . . . . 65.43 111.621 175.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.1 -51.52 13.86 Favored Glycine 0 N--CA 1.441 -1.015 0 N-CA-C 109.58 -1.408 . . . . 75.43 109.58 -178.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.6 p -63.89 -32.93 59.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 O-C-N 122.445 -0.444 . . . . 74.14 111.558 -177.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.72 -48.46 77.7 Favored 'General case' 0 C--O 1.224 -0.261 0 N-CA-C 112.439 0.533 . . . . 65.24 112.439 176.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -76.4 -32.75 58.7 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 120.16 -0.616 . . . . 71.34 111.519 -178.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.38 -39.75 89.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.73 0.3 . . . . 71.3 110.684 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.6 pp -76.83 -28.79 55.66 Favored 'General case' 0 C--O 1.215 -0.757 0 O-C-N 121.649 -0.657 . . . . 71.13 110.436 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.68 -31.93 73.25 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.737 -0.602 . . . . 72.55 111.489 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.43 -19.06 65.7 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 115.965 -0.561 . . . . 63.34 112.439 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -58.61 -26.11 63.35 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 120.699 0.285 . . . . 73.5 111.202 178.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.6 m -63.81 -30.6 71.67 Favored 'General case' 0 C--O 1.218 -0.578 0 C-N-CA 122.683 0.393 . . . . 75.3 112.033 -178.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.39 -29.03 62.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.466 0.65 . . . . 73.31 109.945 178.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.5 m -94.01 18.26 10.92 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 113.017 0.747 . . . . 74.35 113.017 -176.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -82.51 -7.55 59.64 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 121.152 0.501 . . . . 74.13 112.157 -178.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.8 t -80.93 161.49 24.31 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 116.098 -0.501 . . . . 62.32 109.838 177.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -63.5 127.69 91.62 Favored Pre-proline 0 CA--C 1.539 0.527 0 N-CA-C 108.511 -0.922 . . . . 73.5 108.511 176.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -72.6 163.32 38.85 Favored 'Trans proline' 0 C--O 1.24 0.592 0 C-N-CA 117.605 -1.13 . . . . 74.31 111.29 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -62.27 143.32 57.02 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 109.104 -0.702 . . . . 70.24 109.104 177.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -64.49 155.89 31.37 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.978 -1.119 . . . . 74.42 107.978 173.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -112.21 177.82 4.51 Favored 'General case' 0 C--O 1.25 1.092 0 N-CA-C 109.471 -0.566 . . . . 74.23 109.471 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt . . . . . 0 C--O 1.255 1.347 0 N-CA-C 108.443 -0.947 . . . . 74.45 108.443 179.55 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.427 0 CA-C-O 118.782 -1.01 . . . . 61.14 111.295 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.51 170.07 21.06 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 105.786 -1.931 . . . . 62.24 105.786 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 62.2 ttp -68.36 138.21 55.21 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.342 -0.984 . . . . 74.02 108.342 177.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.19 141.57 50.67 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.138 -1.06 . . . . 65.11 108.138 175.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -66.92 164.99 16.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.956 0.408 . . . . 75.34 110.344 178.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.87 152.35 87.19 Favored Pre-proline 0 CA--C 1.541 0.623 0 N-CA-C 107.682 -1.229 . . . . 74.02 107.682 174.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.18 137.54 34.47 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 115.312 -2.659 . . . . 72.21 110.415 177.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -59.97 117.23 4.83 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.155 -0.683 . . . . 72.45 109.155 -177.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.7 m -133.09 146.12 51.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.166 0.508 . . . . 75.44 112.042 -177.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.14 -26.69 68.3 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.918 -0.771 . . . . 65.45 108.918 174.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.5 m -56.34 -40.12 73.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.185 -0.916 . . . . 72.12 111.511 177.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -61.15 -40.54 94.24 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.065 0.394 . . . . 72.23 112.065 -177.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.96 -31.57 72.23 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.335 -0.853 . . . . 74.42 110.105 -177.018 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.0 t -68.57 -51.85 42.16 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.606 0 N-CA-C 109.528 -0.545 . . . . 73.41 109.528 -178.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -70.79 -30.7 67.24 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.955 0.724 . . . . 73.05 112.955 -177.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.7 m -63.2 -46.18 88.23 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 122.174 -0.329 . . . . 63.42 110.873 173.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.91 -35.11 79.73 Favored 'General case' 0 C--O 1.207 -1.158 0 N-CA-C 109.125 -0.694 . . . . 73.34 109.125 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mp -65.33 -33.67 76.52 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.205 -0.452 . . . . 70.11 111.279 178.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -58.02 -48.18 80.84 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 106.752 -1.573 . . . . 73.13 106.752 174.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.02 85.58 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 112.998 0.74 . . . . 71.43 112.998 -174.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -70.82 -34.2 71.47 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 121.463 0.649 . . . . 73.52 110.733 -177.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.8 mm -83.21 -37.4 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 CA-C-N 114.992 -1.004 . . . . 73.12 113.425 -175.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.8 mt -91.01 -23.15 20.47 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 123.76 0.824 . . . . 73.44 112.47 -177.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.24 33.01 37.03 Favored Glycine 0 C--O 1.229 -0.191 0 C-N-CA 120.654 -0.784 . . . . 74.4 112.586 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.8 m -110.04 152.96 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-O 121.38 0.61 . . . . 74.42 111.162 -177.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -68.32 -38.25 81.36 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.846 1.795 . . . . 73.24 115.846 -173.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -144.61 160.83 40.53 Favored 'General case' 0 C--O 1.201 -1.476 0 N-CA-C 107.014 -1.476 . . . . 75.31 107.014 -178.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.1 t -137.24 127.42 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.657 0 O-C-N 124.173 0.921 . . . . 75.21 109.616 177.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.46 166.64 31.94 Favored Glycine 0 C--N 1.346 1.091 0 N-CA-C 110.469 -1.052 . . . . 74.34 110.469 175.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -66.36 -26.36 37.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 118.066 0.933 . . . . 73.44 112.567 178.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -106.39 16.62 24.5 Favored 'General case' 0 C--O 1.209 -1.074 0 CA-C-O 121.458 0.647 . . . . 73.43 112.179 -177.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.58 121.55 20.83 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.611 -0.681 . . . . 72.13 112.401 -176.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.76 125.31 28.49 Favored 'General case' 0 C--O 1.214 -0.774 0 CA-C-O 122.182 0.992 . . . . 64.04 109.414 -177.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -55.35 -38.51 68.88 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.767 -0.651 . . . . 72.1 111.431 -178.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -78.47 -22.47 47.51 Favored 'General case' 0 C--O 1.224 -0.27 0 N-CA-C 113.338 0.866 . . . . 75.14 113.338 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -78.35 -29.73 47.69 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.1 -1.074 . . . . 64.41 108.1 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 65.6 mt -76.59 14.29 0.82 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.893 -1.049 . . . . 74.1 111.238 173.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.19 2.22 74.45 Favored Glycine 0 C--O 1.215 -1.07 0 N-CA-C 116.109 1.204 . . . . 74.33 116.109 177.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.09 154.3 52.58 Favored Glycine 0 C--N 1.316 -0.561 0 CA-C-O 122.8 1.222 . . . . 61.3 114.05 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.7 m -137.62 163.67 30.67 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.834 -1.173 . . . . 75.44 107.834 -177.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 m -57.01 -36.16 70.09 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.06 0.763 . . . . 75.22 113.06 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.51 -35.4 77.43 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.368 0.604 . . . . 72.41 110.806 177.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.3 tp -72.14 -34.35 68.47 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.676 -0.49 . . . . 74.35 109.676 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.41 -30.8 65.25 Favored 'General case' 0 C--O 1.199 -1.594 0 CA-C-O 121.138 0.494 . . . . 73.14 112.122 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 91.4 mtp -64.26 -31.43 72.63 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 121.887 -0.508 . . . . 71.54 111.147 176.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -75.06 -33.73 61.74 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 121.244 -0.91 . . . . 75.31 109.185 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 53.8 tp -63.15 -45.79 90.25 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 108.592 -0.892 . . . . 73.44 108.592 176.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.35 -43.76 97.23 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 N-CA-C 109.347 -0.612 . . . . 73.12 109.347 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.38 -43.47 88.47 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 121.075 -0.25 . . . . 73.01 110.831 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.55 -34.08 77.1 Favored 'General case' 0 C--O 1.204 -1.297 0 N-CA-C 112.298 0.481 . . . . 75.54 112.298 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.2 mt -66.32 -30.38 49.66 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.246 0 N-CA-C 106.921 -1.511 . . . . 64.02 106.921 -177.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.435 ' HE ' ' CG ' ' A' ' 58' ' ' ASP . 4.5 mtp-105 -65.68 -31.38 72.36 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.237 -0.915 . . . . 72.15 111.214 178.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -78.66 -36.5 43.72 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.5 -1.296 . . . . 73.31 107.5 -174.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -87.56 -41.92 13.11 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 114.358 1.244 . . . . 73.33 114.358 -175.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 67.5 mt -112.62 -5.67 13.97 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 123.217 0.607 . . . . 75.1 110.984 -171.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.69 18.74 77.53 Favored Glycine 0 N--CA 1.466 0.682 0 N-CA-C 115.619 1.008 . . . . 72.43 115.619 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.9 m -135.25 146.71 29.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-N 118.22 1.01 . . . . 70.24 112.26 -177.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.435 ' CG ' ' HE ' ' A' ' 52' ' ' ARG . 2.2 m-20 -79.21 108.43 12.7 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 106.944 -1.502 . . . . 72.2 106.944 172.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -62.42 122.16 71.58 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 109.102 -0.703 . . . . 74.31 109.102 -178.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.02 118.43 5.31 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 120.174 0.582 . . . . 74.24 111.77 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.7 tt -59.56 -25.82 32.67 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 O-C-N 121.803 -0.561 . . . . 71.34 111.731 -177.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 46.8 ttm-85 -63.84 -36.81 85.13 Favored 'General case' 0 C--O 1.214 -0.782 0 O-C-N 121.417 -0.802 . . . . 74.52 111.521 175.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -70.33 -37.22 74.64 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.017 -0.364 . . . . 74.33 110.017 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 mt -62.75 -47.41 83.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.266 -0.425 . . . . 74.51 111.029 176.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -73.47 -25.03 60.29 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.609 0.596 . . . . 74.14 112.609 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.2 t -69.53 -32.86 71.94 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.238 0.542 . . . . 63.21 110.547 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.7 m -149.84 87.92 4.98 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.72 -0.474 . . . . 75.52 109.72 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -75.51 40.22 0.68 Allowed 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 122.126 1.884 . . . . 73.05 116.8 -174.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.7 p -127.11 153.21 76.65 Favored Pre-proline 0 CA--C 1.507 -0.704 0 N-CA-C 105.623 -1.991 . . . . 63.1 105.623 175.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.59 -39.45 44.23 Favored 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 115.778 -2.348 . . . . 74.41 115.001 -175.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.98 -31.81 68.47 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 122.324 1.059 . . . . 71.53 110.133 177.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.63 -46.5 92.02 Favored Glycine 0 C--O 1.216 -0.989 0 N-CA-C 109.683 -1.367 . . . . 65.31 109.683 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.0 t -63.93 -44.26 97.92 Favored 'Isoleucine or valine' 0 C--O 1.29 3.235 0 CA-C-N 118.186 0.993 . . . . 74.43 110.196 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.14 -49.6 75.42 Favored 'General case' 0 C--O 1.215 -0.725 0 O-C-N 120.318 -1.489 . . . . 75.52 111.499 178.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 38.3 ptt85 -71.92 -29.97 64.86 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.303 -0.873 . . . . 74.23 110.749 -178.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.38 -44.05 76.0 Favored 'General case' 0 CA--C 1.507 -0.685 0 C-N-CA 120.519 -0.472 . . . . 63.11 111.946 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.6 pp -72.83 -30.91 64.4 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.714 -0.476 . . . . 74.31 109.714 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.7 -42.07 98.03 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 121.396 0.617 . . . . 63.52 110.102 175.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.72 -36.88 85.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.007 0.432 . . . . 74.21 110.38 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -63.86 -39.8 95.07 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 110.046 -0.353 . . . . 75.15 110.046 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.0 t -71.37 -33.42 69.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 118.201 0.455 . . . . 73.42 111.676 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.89 -39.61 83.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.358 0.599 . . . . 75.14 110.747 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.4 p -80.36 -12.61 59.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.972 -0.558 . . . . 74.11 112.252 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 42.5 m95 -131.74 67.93 1.51 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.629 -0.878 . . . . 71.4 108.629 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.95 -31.84 72.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.967 -1.015 . . . . 72.5 110.5 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -93.32 132.16 31.1 Favored Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 105.961 -1.866 . . . . 72.13 105.961 170.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.81 148.93 59.34 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 116.435 -1.91 . . . . 72.33 113.778 -176.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -82.21 158.49 23.54 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.506 -0.924 . . . . 74.1 108.506 175.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -109.57 155.67 21.12 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 104.875 -2.269 . . . . 73.42 104.875 165.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -151.96 167.8 27.22 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 104.366 -2.457 . . . . 74.22 104.366 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? . . . . . 0 C--O 1.241 0.635 0 N-CA-C 108.718 -0.845 . . . . 73.55 108.718 -179.566 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 CA-C-O 118.858 -0.968 . . . . 52.32 111.158 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.28 147.28 51.5 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 107.45 -1.315 . . . . 61.02 107.45 176.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.7 ptp -72.18 146.36 47.43 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.115 0.483 . . . . 63.44 110.17 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.18 153.99 31.52 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.998 -1.112 . . . . 64.13 107.998 178.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -85.97 140.91 29.91 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 107.901 -1.148 . . . . 74.42 107.901 176.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.52 151.18 96.76 Favored Pre-proline 0 CA--C 1.543 0.708 0 N-CA-C 108.789 -0.819 . . . . 52.52 108.789 177.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -70.82 162.71 41.65 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 118.216 -0.723 . . . . 71.3 113.519 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -69.04 129.29 39.51 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.122 -0.49 . . . . 74.13 109.873 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.9 m -89.23 153.32 21.01 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.54 -0.541 . . . . 73.34 109.54 178.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.07 -25.91 64.17 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 113.563 0.949 . . . . 70.41 113.563 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -33.28 74.49 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.92 -0.487 . . . . 75.31 112.151 178.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -63.04 -42.36 99.72 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-O 120.707 0.289 . . . . 72.4 111.406 -170.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -69.16 -26.33 64.81 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 113.214 0.82 . . . . 71.12 113.214 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.6 t -71.12 -45.68 70.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 106.385 -1.709 . . . . 75.21 106.385 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.7 mt -66.39 -37.3 84.94 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.54 -0.755 . . . . 75.53 111.623 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.9 m -56.65 -44.13 81.03 Favored 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 120.864 -0.334 . . . . 75.5 110.131 174.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.06 -38.01 81.94 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 121.252 -0.905 . . . . 63.42 111.822 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.5 mt -64.1 -33.56 76.04 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 122.109 -0.369 . . . . 71.44 111.316 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -64.73 -47.48 78.12 Favored 'General case' 0 C--O 1.21 -1.013 0 N-CA-C 106.548 -1.649 . . . . 65.33 106.548 177.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.81 -44.08 86.11 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 111.849 0.315 . . . . 65.14 111.849 -177.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -58.21 -44.04 87.96 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 122.019 0.914 . . . . 75.44 112.046 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -84.06 -40.29 15.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 114.938 -1.028 . . . . 73.53 111.432 -171.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.9 mt -81.47 -22.37 38.13 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 122.566 0.347 . . . . 63.41 111.293 -175.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.59 25.4 70.16 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.445 -0.884 . . . . 71.34 112.528 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.7 m -100.02 151.72 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.666 0.746 . . . . 70.42 109.581 -178.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -67.28 -39.89 86.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.992 -0.549 . . . . 74.44 112.435 -174.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.8 mmt-85 -141.12 166.95 23.38 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-O 121.133 0.492 . . . . 74.3 111.08 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.7 t -145.3 127.41 9.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-N 114.253 -1.34 . . . . 72.32 108.35 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.5 170.06 45.99 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 109.484 -1.446 . . . . 72.14 109.484 175.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -74.88 -24.11 17.9 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.432 0 CA-C-O 122.992 1.377 . . . . 75.45 111.509 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -107.2 16.53 23.97 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 113.51 -1.677 . . . . 75.12 110.835 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.24 129.77 35.47 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.192 0.441 . . . . 73.42 112.192 -172.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.41 121.82 25.63 Favored 'General case' 0 C--O 1.212 -0.884 0 CA-C-O 121.811 0.815 . . . . 51.13 110.594 -177.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -51.76 -39.89 59.33 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.185 -0.916 . . . . 73.35 111.977 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -81.9 -20.26 39.14 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.269 0.84 . . . . 74.51 113.269 -177.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -77.18 -31.76 55.65 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 106.971 -1.492 . . . . 74.15 106.971 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.0 mt -76.96 16.64 0.52 Allowed 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 114.321 -1.309 . . . . 74.53 112.565 174.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.77 4.82 69.32 Favored Glycine 0 C--O 1.237 0.326 0 N-CA-C 115.487 0.955 . . . . 74.31 115.487 177.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.87 158.63 53.41 Favored Glycine 0 C--O 1.217 -0.93 0 CA-C-O 122.252 0.918 . . . . 71.12 114.177 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.3 t -144.85 167.19 23.2 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 114.881 -0.659 . . . . 74.41 109.284 -178.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.0 m -58.39 -30.68 67.01 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.138 0.494 . . . . 72.21 111.46 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.49 -39.81 92.35 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.028 -0.533 . . . . 61.25 110.312 177.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.3 mt -78.29 -25.65 46.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.599 -0.273 . . . . 74.2 111.244 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.61 -32.06 70.06 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 122.135 -0.353 . . . . 73.43 110.357 175.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.8 mmt -66.13 -32.03 73.24 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 120.891 0.377 . . . . 74.45 111.19 177.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -72.47 -37.23 68.54 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.49 -0.93 . . . . 74.44 108.49 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.0 tp -67.27 -44.45 79.32 Favored 'General case' 0 C--N 1.318 -0.79 0 O-C-N 124.536 1.147 . . . . 74.32 108.107 -178.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.7 mt -59.76 -38.29 75.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 109.27 -0.641 . . . . 75.45 109.27 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.99 -45.54 81.25 Favored 'General case' 0 C--O 1.199 -1.555 0 O-C-N 122.017 -0.427 . . . . 74.44 111.513 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -67.88 -33.5 74.85 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-O 120.915 0.388 . . . . 74.14 111.716 -177.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.4 mt -55.16 -36.59 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-O 121.278 0.561 . . . . 74.04 110.021 177.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -64.58 -30.37 71.4 Favored 'General case' 0 C--O 1.209 -1.032 0 O-C-N 121.809 -0.557 . . . . 64.43 112.144 -177.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -82.06 -38.58 24.7 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 107.575 -1.268 . . . . 73.31 107.575 -175.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -86.1 -36.82 19.38 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 114.514 1.302 . . . . 72.23 114.514 -173.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.1 mt -113.92 -6.73 13.19 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.861 -0.524 . . . . 74.41 109.904 -173.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.16 21.23 77.03 Favored Glycine 0 C--N 1.334 0.431 0 N-CA-C 116.15 1.22 . . . . 70.14 116.15 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.1 m -140.33 163.5 23.3 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.615 0 CA-C-N 117.713 0.756 . . . . 74.11 111.749 -175.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -86.65 141.89 28.63 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 107.713 -1.218 . . . . 72.35 107.713 172.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.0 tp -104.99 120.39 50.1 Favored Pre-proline 0 C--N 1.321 -0.642 0 O-C-N 121.998 -0.439 . . . . 75.53 110.246 174.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.88 136.33 72.89 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 N-CA-C 110.499 -0.616 . . . . 61.42 110.499 170.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.3 tt -65.72 -21.99 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 O-C-N 121.222 -0.924 . . . . 74.45 110.733 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.6 ttt85 -62.5 -32.16 73.02 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 121.749 -0.594 . . . . 75.31 110.543 176.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -45.13 94.88 Favored 'General case' 0 C--O 1.219 -0.548 0 O-C-N 123.266 0.354 . . . . 65.23 110.218 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.7 mt -67.15 -41.42 86.07 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 112.01 0.374 . . . . 73.4 112.01 178.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -69.76 -28.11 65.49 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.962 -0.695 . . . . 74.41 112.295 -178.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.3 m -82.92 -19.89 36.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.125 0.488 . . . . 72.34 110.762 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.6 m -151.36 85.25 5.0 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 109.717 -0.475 . . . . 73.12 109.717 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -78.66 18.26 1.0 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 N-CA-C 115.599 1.346 . . . . 73.01 115.599 -174.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.3 p -113.77 154.63 45.77 Favored Pre-proline 0 C--O 1.242 0.664 0 N-CA-C 108.694 -0.854 . . . . 75.25 108.694 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -68.89 -32.29 22.74 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 115.966 -2.223 . . . . 62.52 113.264 -175.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.11 -35.52 64.15 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 121.443 -0.785 . . . . 73.23 110.647 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -64.79 -50.73 56.96 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.496 -0.859 . . . . 52.21 110.956 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.3 p -65.44 -32.72 59.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 122.831 -0.217 . . . . 72.23 110.666 -177.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.11 -46.73 87.75 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 122.276 1.036 . . . . 62.25 111.571 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -75.05 -32.03 61.45 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 115.195 -0.911 . . . . 72.41 109.74 -177.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.25 -41.45 73.51 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.578 0.585 . . . . 53.4 112.578 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.0 pp -75.23 -28.52 59.94 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 122.329 -0.232 . . . . 75.13 111.109 -177.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.92 -33.44 68.79 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.059 0.457 . . . . 74.04 110.704 177.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.53 -20.84 64.58 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.301 0.852 . . . . 65.33 113.301 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt -64.17 -20.08 65.75 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 118.306 0.503 . . . . 73.45 110.984 -178.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.3 m -66.93 -30.85 71.1 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.809 -0.357 . . . . 73.51 111.912 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.24 -37.74 63.71 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 107.813 -1.18 . . . . 73.51 107.813 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.5 m -78.16 3.41 15.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.866 -1.061 . . . . 73.2 113.686 -178.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 9.3 t90 -79.26 -23.49 43.62 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.796 0.808 . . . . 74.54 109.351 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 96.2 p -73.66 155.33 39.13 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.097 -0.705 . . . . 72.21 109.097 177.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -62.94 143.75 97.26 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.591 -0.277 . . . . 73.02 110.608 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -71.23 170.76 17.47 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 O-C-N 121.74 0.337 . . . . 73.32 111.882 175.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -63.58 -34.2 77.28 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 112.642 0.608 . . . . 71.4 112.642 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -105.19 111.15 23.8 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.15 -1.426 . . . . 73.5 107.15 175.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -135.33 159.95 39.95 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 104.854 -2.276 . . . . 75.43 104.854 -178.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.102 0 N-CA-C 108.986 -0.746 . . . . 74.01 108.986 -178.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 CA-C-O 118.538 -1.145 . . . . 54.34 111.021 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.02 159.01 24.07 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 106.756 -1.572 . . . . 73.31 106.756 175.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.7 mtt -68.0 135.69 52.72 Favored 'General case' 0 C--O 1.247 0.967 0 N-CA-C 108.844 -0.799 . . . . 71.53 108.844 178.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.34 133.36 42.54 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 107.587 -1.264 . . . . 73.31 107.587 173.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -87.38 146.6 25.81 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 107.71 -1.219 . . . . 75.24 107.71 177.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.09 158.82 79.96 Favored Pre-proline 0 CA--C 1.541 0.615 0 N-CA-C 107.386 -1.339 . . . . 74.24 107.386 176.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.18 140.67 65.93 Favored 'Trans proline' 0 C--O 1.247 0.972 0 C-N-CA 115.261 -2.692 . . . . 73.21 111.087 177.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -66.54 130.33 42.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 122.002 0.906 . . . . 71.2 110.651 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.9 t -93.46 147.36 23.03 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.442 -0.948 . . . . 74.11 108.442 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.03 -36.04 69.99 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.718 0.77 . . . . 74.34 109.739 178.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.25 -41.86 97.64 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.673 0.62 . . . . 63.42 112.673 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -63.36 -36.79 84.88 Favored 'General case' 0 CA--C 1.515 -0.368 0 O-C-N 121.832 -0.543 . . . . 75.43 110.154 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -66.54 -39.9 88.82 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.025 -0.534 . . . . 74.11 111.077 -178.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.5 t -65.59 -52.77 46.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 N-CA-C 107.107 -1.442 . . . . 63.14 107.107 178.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.4 mt -58.28 -41.9 85.38 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.626 0.602 . . . . 73.54 112.626 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.66 -44.24 90.11 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 112.327 0.492 . . . . 75.2 112.327 175.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.2 -40.77 77.84 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.509 -0.476 . . . . 65.55 111.346 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.5 mt -67.15 -31.04 71.19 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 120.353 -0.539 . . . . 64.12 111.396 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -57.67 -45.68 85.26 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 108.08 -1.081 . . . . 74.3 108.08 173.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.54 93.33 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 112.557 0.577 . . . . 65.22 112.557 -177.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -65.07 -36.72 85.24 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 121.775 0.798 . . . . 74.5 112.445 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.6 mm -86.43 -37.86 11.94 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 N-CA-C 113.23 0.826 . . . . 74.5 113.23 -173.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.9 mt -87.89 -21.54 24.91 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.206 -0.452 . . . . 63.31 111.781 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.93 30.56 59.18 Favored Glycine 0 C--O 1.237 0.301 0 C-N-CA 121.117 -0.563 . . . . 71.21 112.269 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -104.35 151.27 6.96 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 CA-C-O 121.839 0.828 . . . . 72.24 110.783 -178.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -63.01 -30.55 71.69 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 115.849 1.796 . . . . 70.3 115.849 -173.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -154.67 162.47 41.11 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 107.914 -1.143 . . . . 74.54 107.914 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.4 t -136.94 134.43 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 N-CA-C 107.874 -1.158 . . . . 74.53 107.874 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.01 164.07 33.66 Favored Glycine 0 N--CA 1.465 0.602 0 N-CA-C 108.591 -1.803 . . . . 74.11 108.591 173.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.5 m -69.69 -21.44 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 O-C-N 120.541 -1.564 . . . . 72.42 110.823 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -109.6 17.28 21.5 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-O 121.196 0.522 . . . . 72.25 110.049 -176.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.96 125.14 30.42 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.966 -0.753 . . . . 75.33 108.966 -173.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.05 130.87 35.98 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.107 0.956 . . . . 60.32 111.359 -174.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -54.42 -40.39 68.25 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.103 -0.953 . . . . 74.32 111.728 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -79.34 -20.28 48.23 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.145 0.794 . . . . 72.32 113.145 -178.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -76.09 -35.33 59.41 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 107.053 -1.462 . . . . 74.4 107.053 -179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.1 mt -78.94 15.55 1.08 Allowed 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 113.987 -1.46 . . . . 73.01 112.116 176.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.32 12.56 59.73 Favored Glycine 0 CA--C 1.519 0.332 0 N-CA-C 115.682 1.033 . . . . 73.02 115.682 176.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.63 165.44 54.36 Favored Glycine 0 C--N 1.319 -0.379 0 CA-C-O 122.332 0.962 . . . . 72.3 114.698 -178.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 85.3 p -150.15 165.89 31.49 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.657 -0.868 . . . . 70.01 108.657 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 m -58.4 -34.71 71.03 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-O 121.606 0.717 . . . . 73.23 111.028 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.17 -44.1 76.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.663 0.744 . . . . 55.44 111.353 178.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.3 tp -66.24 -36.72 83.74 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.682 -0.69 . . . . 70.13 109.581 -179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.3 -29.24 63.74 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-N 115.554 -0.748 . . . . 61.24 112.498 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 91.8 mtp -59.43 -35.28 73.72 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 121.917 -0.489 . . . . 75.44 110.801 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.87 -34.55 62.27 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-O 121.223 0.535 . . . . 73.45 110.092 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.3 tp -64.04 -45.54 88.41 Favored 'General case' 0 C--O 1.212 -0.876 0 N-CA-C 107.647 -1.242 . . . . 74.11 107.647 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.17 -41.11 88.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.567 -0.531 . . . . 75.12 109.567 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.0 -42.55 99.88 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.574 -0.285 . . . . 71.52 110.454 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -63.34 -37.96 89.3 Favored 'General case' 0 C--O 1.185 -2.306 0 CA-C-O 121.997 0.903 . . . . 74.12 110.682 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.4 mt -61.44 -30.84 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.387 -3.58 0 CA-C-O 122.878 1.323 . . . . 73.5 110.393 -176.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -65.5 -29.24 69.86 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 115.244 -0.889 . . . . 74.45 113.149 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -77.59 -37.99 49.21 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 108.582 -0.896 . . . . 75.33 108.582 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -91.52 -41.36 10.85 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 115.056 1.502 . . . . 74.32 115.056 -171.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.7 mt -103.22 -2.78 26.69 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 121.116 -0.99 . . . . 75.0 109.484 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.53 16.95 70.24 Favored Glycine 0 C--N 1.335 0.493 0 N-CA-C 116.715 1.446 . . . . 55.44 116.715 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.4 m -139.69 156.51 26.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.249 0.547 . . . . 75.2 110.971 -174.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -86.37 110.44 19.69 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.453 -0.573 . . . . 62.03 109.453 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -65.76 120.08 65.89 Favored Pre-proline 0 CA--C 1.543 0.71 0 CA-C-O 121.192 0.52 . . . . 74.24 111.454 -175.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -62.78 116.42 3.53 Favored 'Trans proline' 0 C--N 1.346 0.427 0 N-CA-C 112.751 0.25 . . . . 72.33 112.751 177.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.0 tt -56.46 -25.96 21.81 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 N-CA-C 112.741 0.645 . . . . 73.21 112.741 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -60.85 -42.47 97.87 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.041 0.756 . . . . 74.43 113.041 172.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -68.88 -39.13 79.95 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.654 -0.869 . . . . 72.45 108.654 -178.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -44.92 93.06 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-N 116.287 -0.415 . . . . 61.43 111.174 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -75.27 -25.13 57.77 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 121.016 -1.053 . . . . 72.33 112.878 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 59.6 m -75.38 -26.09 58.21 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.815 0.817 . . . . 75.21 110.657 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.7 m -147.03 79.94 9.71 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 115.327 -0.851 . . . . 74.11 109.957 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -77.65 40.83 0.89 Allowed 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.397 2.065 . . . . 72.34 116.945 -173.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.6 p -124.95 157.41 66.74 Favored Pre-proline 0 N--CA 1.476 0.829 0 N-CA-C 104.562 -2.384 . . . . 72.35 104.562 175.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -67.7 -34.0 26.13 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 114.71 -3.06 . . . . 72.44 113.5 -176.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.99 -35.58 69.53 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 120.779 -1.201 . . . . 73.5 110.245 174.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.42 -46.49 94.25 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 109.852 -1.299 . . . . 73.03 109.852 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 66.4 t -60.72 -40.45 84.92 Favored 'Isoleucine or valine' 0 C--O 1.273 2.293 0 CA-C-N 117.787 0.793 . . . . 75.5 109.535 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.39 98.78 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 114.014 1.116 . . . . 75.34 114.014 178.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -74.24 -35.49 63.84 Favored 'General case' 0 C--N 1.281 -2.386 0 N-CA-C 114.988 1.477 . . . . 75.34 114.988 178.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.03 -45.59 91.57 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 109.927 -0.398 . . . . 72.4 109.927 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 pp -75.31 -28.27 59.63 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 120.994 -0.283 . . . . 74.43 110.561 -178.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.02 -23.14 67.31 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 112.711 0.634 . . . . 73.12 112.711 178.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.99 -34.01 72.75 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 121.06 0.457 . . . . 74.11 110.713 175.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -79.26 -35.71 41.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.959 -0.463 . . . . 74.05 109.887 177.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.1 m -65.4 -25.91 67.76 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 122.449 0.299 . . . . 74.15 111.47 -178.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.41 -13.88 34.4 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 112.334 0.494 . . . . 71.03 112.334 177.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.7 m -72.31 -10.32 59.63 Favored 'General case' 0 C--O 1.22 -0.498 0 N-CA-C 112.651 0.612 . . . . 73.05 112.651 177.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 50.97 80.57 0.08 Allowed 'General case' 0 CA--C 1.546 0.825 0 CA-C-O 122.605 1.193 . . . . 72.41 113.89 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.0 t -76.98 177.51 7.7 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.532 -0.758 . . . . 72.31 110.022 176.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -65.49 149.38 97.27 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 108.853 -0.795 . . . . 72.13 108.853 177.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -77.9 156.99 31.03 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 116.815 -1.656 . . . . 73.13 112.069 179.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -148.72 140.05 23.3 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 104.983 -2.228 . . . . 73.03 104.983 176.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -92.48 143.31 26.48 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.955 0.407 . . . . 75.41 111.336 -179.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.432 ' H ' ' CD ' ' A' ' 90' ' ' GLU . 2.3 pm0 -75.8 172.12 13.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.684 -0.689 . . . . 75.22 110.3 174.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.961 0 N-CA-C 104.626 -2.361 . . . . 72.23 104.626 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 CA-C-O 118.916 -0.935 . . . . 62.33 111.35 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.63 144.87 55.33 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.583 -1.265 . . . . 72.2 107.583 176.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.8 tpt -72.01 136.81 46.85 Favored 'General case' 0 C--O 1.245 0.818 0 CA-C-O 120.917 0.389 . . . . 74.11 110.189 -179.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.1 145.78 46.23 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 108.505 -0.924 . . . . 73.12 108.505 176.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -83.44 137.35 33.95 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 108.18 -1.044 . . . . 74.52 108.18 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.04 154.93 77.65 Favored Pre-proline 0 C--O 1.244 0.798 0 N-CA-C 105.402 -2.073 . . . . 71.52 105.402 175.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -73.56 159.27 46.4 Favored 'Trans proline' 0 C--O 1.242 0.723 0 C-N-CA 116.783 -1.678 . . . . 62.42 111.7 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -71.71 135.76 46.94 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.3 0.572 . . . . 71.01 110.005 177.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.5 t -83.49 153.69 24.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.262 0.553 . . . . 71.41 111.117 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.75 -31.0 69.24 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 121.776 0.798 . . . . 72.3 110.126 175.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 m -63.44 -37.54 87.69 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 121.609 -0.682 . . . . 65.45 111.693 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -64.19 -35.56 81.2 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.898 -0.502 . . . . 74.03 111.318 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -61.49 -44.27 97.39 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.536 0.684 . . . . 74.41 110.881 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.1 t -65.4 -50.13 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.845 0 N-CA-C 107.095 -1.446 . . . . 73.44 107.095 -176.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.6 mt -61.22 -40.1 92.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.189 -0.46 . . . . 74.11 111.204 -177.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.1 m -59.46 -43.18 93.25 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.731 -0.605 . . . . 75.14 112.275 175.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.25 -37.56 74.97 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.396 0.517 . . . . 65.51 112.396 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.0 mt -63.41 -34.83 78.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.052 0.453 . . . . 73.44 111.305 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -61.11 -46.8 89.14 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 109.446 -0.576 . . . . 73.43 109.446 176.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.7 91.84 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 113.461 0.911 . . . . 71.32 113.461 -175.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -60.33 -47.97 83.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.867 0.842 . . . . 75.25 110.822 -177.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.7 mt -83.2 -38.15 14.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.211 -0.904 . . . . 73.15 112.793 -169.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.2 mt -81.09 -20.05 42.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.562 -0.29 . . . . 75.44 110.874 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.61 29.49 72.84 Favored Glycine 0 N--CA 1.461 0.302 0 C-N-CA 121.245 -0.502 . . . . 73.3 112.935 178.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.5 m -97.95 155.27 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-O 121.507 0.67 . . . . 73.32 110.726 -177.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -62.95 -37.46 87.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.936 -1.029 . . . . 75.04 112.33 -174.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -153.4 161.67 42.06 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.963 -0.754 . . . . 71.53 108.963 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.9 t -130.96 127.9 61.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 N-CA-C 107.892 -1.151 . . . . 54.15 107.892 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.23 163.12 35.69 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 108.727 -1.749 . . . . 54.4 108.727 173.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.38 -25.55 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 O-C-N 120.633 -1.51 . . . . 74.43 110.787 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -104.6 14.62 29.55 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.493 -0.776 . . . . 63.25 111.451 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.45 126.0 30.65 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 109.416 -0.586 . . . . 75.21 109.416 -174.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.94 135.3 36.91 Favored 'General case' 0 C--O 1.213 -0.816 0 O-C-N 121.306 -0.871 . . . . 70.25 111.026 -176.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -54.13 -35.44 62.19 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.26 -0.882 . . . . 73.04 111.726 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -85.09 -18.38 34.45 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.851 0.686 . . . . 62.41 112.851 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -78.31 -34.59 48.57 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 106.224 -1.769 . . . . 75.53 106.224 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.1 mt -77.42 12.83 1.39 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 113.731 -1.577 . . . . 74.14 111.461 174.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.85 5.98 67.83 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 117.908 1.923 . . . . 75.11 117.908 174.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.09 109.85 3.49 Favored Glycine 0 N--CA 1.463 0.499 0 N-CA-C 118.354 2.102 . . . . 74.43 118.354 -175.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.8 m -78.16 161.93 26.99 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 122.082 -0.658 . . . . 70.43 111.515 175.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -57.24 -25.86 59.82 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 114.759 1.392 . . . . 64.3 114.759 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.57 -32.9 70.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.433 -0.792 . . . . 73.44 110.75 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.8 tp -73.71 -30.0 62.59 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.77 -0.65 . . . . 75.12 109.847 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.42 -31.19 61.67 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.012 0.745 . . . . 73.45 113.012 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 19.3 mmt -62.08 -29.19 70.14 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-O 121.649 0.738 . . . . 73.35 111.756 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -76.99 -32.44 57.21 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.027 -1.101 . . . . 74.22 108.027 -177.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 66.5 tp -69.38 -43.47 73.48 Favored 'General case' 0 C--O 1.213 -0.855 0 N-CA-C 108.752 -0.832 . . . . 73.42 108.752 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.6 mt -61.56 -39.3 82.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.358 -0.608 . . . . 75.2 109.358 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.52 -42.22 95.91 Favored 'General case' 0 C--N 1.313 -0.993 0 O-C-N 122.322 -0.236 . . . . 63.41 111.275 176.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -36.89 82.41 Favored 'General case' 0 C--O 1.191 -2.002 0 CA-C-O 121.842 0.829 . . . . 72.2 111.922 177.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 57.9 mt -60.51 -31.18 48.19 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.751 0 CA-C-O 122.96 1.362 . . . . 74.12 110.874 -176.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.4 mtt-85 -65.16 -31.35 72.5 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 113.362 0.875 . . . . 75.42 113.362 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -75.71 -37.72 59.2 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 109.373 -0.602 . . . . 73.31 109.373 -176.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -86.76 -50.62 6.63 Favored 'General case' 0 C--O 1.246 0.891 0 N-CA-C 114.332 1.234 . . . . 72.42 114.332 -175.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 47.9 mt -100.34 -3.62 30.83 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.667 -1.271 . . . . 73.55 110.865 -172.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.49 18.7 73.87 Favored Glycine 0 CA--C 1.503 -0.666 0 N-CA-C 116.55 1.38 . . . . 72.41 116.55 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.4 m -142.59 159.84 19.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 117.513 0.656 . . . . 72.13 109.249 -173.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -98.25 107.22 19.63 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 122.24 1.019 . . . . 74.41 109.431 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 tp -65.36 125.77 90.13 Favored Pre-proline 0 C--O 1.237 0.436 0 C-N-CA 119.712 -0.795 . . . . 64.23 110.342 -178.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -60.11 137.07 73.19 Favored 'Trans proline' 0 N--CA 1.464 -0.211 0 C-N-CA 118.508 -0.528 . . . . 72.44 111.609 173.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.1 tt -64.25 -20.91 27.86 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 CA-C-O 121.888 0.852 . . . . 74.32 108.922 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -64.66 -37.98 89.42 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.534 -0.729 . . . . 74.03 110.892 174.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -42.67 95.25 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 108.494 -0.928 . . . . 72.5 108.494 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.3 tp -63.04 -47.56 82.48 Favored 'General case' 0 C--O 1.209 -1.03 0 CA-C-N 115.943 -0.571 . . . . 74.22 110.996 178.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 -73.98 -20.01 60.48 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.84 -0.537 . . . . 75.55 111.924 -174.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 70.7 m -72.21 -28.95 63.51 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.593 0.711 . . . . 73.1 109.997 178.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.2 p -157.75 90.44 2.33 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.396 -0.82 . . . . 62.54 109.059 -177.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -79.11 34.88 0.53 Allowed 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 121.961 1.774 . . . . 74.4 115.891 -173.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.5 p -122.58 149.56 55.89 Favored Pre-proline 0 CA--C 1.497 -1.095 0 N-CA-C 105.233 -2.136 . . . . 71.43 105.233 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -58.28 -41.23 68.57 Favored 'Trans proline' 0 CA--C 1.546 1.083 0 C-N-CA 117.27 -1.353 . . . . 74.43 115.017 -178.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.12 -35.71 78.56 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 120.852 -1.155 . . . . 74.22 110.614 176.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.39 -48.49 84.89 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.825 -0.91 . . . . 64.53 110.825 178.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 76.4 t -58.32 -42.12 83.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 O-C-N 122.305 -0.526 . . . . 73.31 110.038 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.88 -44.49 86.71 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-O 120.647 0.261 . . . . 71.42 111.515 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 53.7 mtp85 -69.6 -38.17 77.17 Favored 'General case' 0 C--O 1.245 0.864 0 C-N-CA 120.105 -0.638 . . . . 74.12 111.767 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.97 -40.53 87.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.783 0.325 . . . . 65.34 111.431 -176.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 pp -76.14 -33.71 59.4 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.636 -0.505 . . . . 74.33 109.636 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.33 -36.99 85.92 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 122.085 -0.384 . . . . 72.35 110.281 176.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.22 86.53 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-O 120.511 0.196 . . . . 75.13 111.057 177.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -70.45 -31.87 69.2 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.979 -0.45 . . . . 73.42 110.092 178.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.7 t -73.71 -31.02 63.2 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 120.929 0.395 . . . . 75.13 110.782 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.32 29.16 0.1 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 113.373 0.879 . . . . 74.44 113.373 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.5 p -72.43 -14.98 61.82 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 112.244 0.461 . . . . 71.43 112.244 177.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 38.4 t-105 52.76 60.35 3.85 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 122.429 1.109 . . . . 75.45 113.073 176.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 27.3 t -146.19 160.17 42.32 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 106.897 -1.52 . . . . 75.14 106.897 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -64.43 144.05 98.54 Favored Pre-proline 0 C--N 1.316 -0.875 0 O-C-N 123.634 0.584 . . . . 72.11 109.792 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -71.38 160.98 47.07 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 116.957 -1.562 . . . . 74.31 111.72 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -130.63 152.09 50.37 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 106.468 -1.679 . . . . 64.42 106.468 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -87.24 160.37 18.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.598 0.713 . . . . 73.31 110.557 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -127.11 156.52 41.61 Favored 'General case' 0 C--O 1.266 1.955 0 N-CA-C 104.361 -2.459 . . . . 75.51 104.361 176.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm . . . . . 0 C--O 1.253 1.287 0 N-CA-C 107.619 -1.252 . . . . 74.02 107.619 179.519 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 CA-C-O 118.858 -0.968 . . . . 65.33 111.149 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.3 157.29 37.27 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.424 -0.954 . . . . 75.11 108.424 176.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 31.3 mmt -77.9 147.14 35.19 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.368 -0.605 . . . . 73.01 109.368 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.35 149.11 42.83 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.799 -0.445 . . . . 62.5 109.799 178.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -96.31 150.9 20.05 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.12 -1.067 . . . . 75.12 108.12 176.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.74 150.96 96.56 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 108.782 -0.821 . . . . 72.3 108.782 176.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.4 163.57 29.73 Favored 'Trans proline' 0 N--CA 1.427 -2.43 0 CA-C-O 122.491 0.955 . . . . 74.34 112.02 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -81.35 164.06 22.42 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.702 -1.135 . . . . 74.21 109.797 -178.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.3 t -113.8 153.84 28.41 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.509 0.671 . . . . 65.22 111.243 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.68 -26.91 63.64 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.868 -0.606 . . . . 73.42 111.143 177.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.2 m -56.42 -43.89 79.84 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 111.705 0.261 . . . . 71.41 111.705 -175.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -57.31 -39.18 75.28 Favored 'General case' 0 C--O 1.214 -0.801 0 C-N-CA 120.854 -0.339 . . . . 74.4 111.105 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -65.34 -42.84 92.48 Favored 'General case' 0 CA--C 1.5 -0.951 0 CA-C-N 115.529 -0.76 . . . . 75.24 112.182 -174.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.5 t -66.77 -45.43 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 N-CA-C 108.324 -0.991 . . . . 75.41 108.324 -177.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.86 -38.17 90.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.528 0.68 . . . . 71.23 112.076 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 47.2 m -59.89 -50.19 74.76 Favored 'General case' 0 C--O 1.21 -1.005 0 CA-C-N 115.929 -0.578 . . . . 74.32 109.795 175.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.85 -33.81 76.89 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 118.039 -1.464 . . . . 51.41 110.374 -175.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mp -68.32 -32.43 72.56 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 123.747 0.819 . . . . 74.45 111.567 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -62.64 -49.26 75.89 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 107.806 -1.183 . . . . 75.45 107.806 175.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.86 -32.03 73.19 Favored 'General case' 0 CA--C 1.563 1.459 0 C-N-CA 119.468 -0.893 . . . . 71.04 111.03 -176.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -67.31 -37.65 83.68 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 125.072 1.482 . . . . 75.21 110.32 -177.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.5 mm -85.33 -39.39 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.828 0 CA-C-N 114.199 -1.364 . . . . 74.21 112.711 -173.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.5 mt -80.05 -23.3 41.49 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 114.906 -1.043 . . . . 74.21 111.761 -177.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.07 33.53 44.98 Favored Glycine 0 C--O 1.228 -0.223 0 C-N-CA 120.546 -0.835 . . . . 54.34 112.858 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.2 m -111.27 154.27 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 109.275 -0.639 . . . . 73.14 109.275 -178.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.44 -38.32 87.14 Favored 'General case' 0 C--O 1.269 2.113 0 CA-C-O 120.911 0.386 . . . . 71.34 111.771 -174.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -149.51 164.83 33.98 Favored 'General case' 0 CA--C 1.486 -1.512 0 N-CA-C 105.338 -2.097 . . . . 74.24 105.338 -176.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 12.1 p -154.26 139.45 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.394 -3.248 0 N-CA-C 105.786 -1.931 . . . . 72.31 105.786 -173.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.2 170.13 50.56 Favored Glycine 0 C--O 1.221 -0.701 0 O-C-N 120.857 -1.152 . . . . 72.03 112.718 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -76.29 -17.71 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-O 122.965 1.364 . . . . 73.34 108.333 179.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -117.39 18.24 14.42 Favored 'General case' 0 C--O 1.194 -1.854 0 CA-C-N 114.769 -1.105 . . . . 75.43 110.263 -177.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -74.54 128.94 36.79 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.732 -0.667 . . . . 75.15 111.37 -174.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.16 119.05 21.72 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.379 -0.6 . . . . 64.34 109.379 -178.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -47.79 -41.63 23.94 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.789 0.662 . . . . 74.42 112.789 -178.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -73.54 -18.47 61.08 Favored 'General case' 0 C--O 1.221 -0.416 0 N-CA-C 115.098 1.518 . . . . 72.1 115.098 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -77.47 -26.51 51.43 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 108.748 -0.834 . . . . 62.02 108.748 -176.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -86.21 19.39 2.71 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.992 -0.549 . . . . 75.42 110.095 173.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.74 5.67 86.24 Favored Glycine 0 C--O 1.238 0.371 0 O-C-N 121.912 -0.492 . . . . 73.5 113.591 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.3 130.92 49.47 Favored Glycine 0 C--O 1.226 -0.386 0 CA-C-O 122.263 0.924 . . . . 54.11 112.635 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.8 m -128.48 169.64 14.1 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.365 -0.976 . . . . 54.53 108.365 -176.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.7 m -56.79 -31.76 64.97 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.528 0.936 . . . . 61.53 113.528 -178.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.12 -42.21 89.5 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.115 0.483 . . . . 44.02 110.491 176.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.4 mt -70.52 -29.83 66.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.148 -0.315 . . . . 74.44 110.148 177.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.19 -36.26 83.04 Favored 'General case' 0 C--O 1.2 -1.55 0 CA-C-O 121.196 0.522 . . . . 65.34 110.557 176.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.5 mmt -68.29 -38.17 81.4 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.659 -0.651 . . . . 71.14 110.473 176.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.1 -37.53 87.77 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 121.589 -0.694 . . . . 74.35 110.53 175.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.5 tp -62.28 -48.06 81.59 Favored 'General case' 0 C--O 1.209 -1.079 0 CA-C-O 121.263 0.554 . . . . 74.12 110.003 178.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 56.1 mt -59.79 -39.1 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.377 -0.374 . . . . 73.42 110.194 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.94 -41.57 92.13 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.509 -0.477 . . . . 70.23 109.96 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.2 tpt85 -71.71 -36.32 70.48 Favored 'General case' 0 C--O 1.255 1.346 0 CA-C-O 118.801 -0.619 . . . . 74.45 112.44 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.8 mt -58.85 -35.42 56.06 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.519 0 CA-C-N 119.204 0.911 . . . . 73.03 110.527 175.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -63.36 -31.94 73.23 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 122.001 -0.437 . . . . 74.33 111.765 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -74.68 -32.42 62.21 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 122.264 1.03 . . . . 64.33 108.723 -176.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -89.9 -52.68 4.85 Favored 'General case' 0 C--O 1.212 -0.885 0 N-CA-C 115.824 1.787 . . . . 74.25 115.824 -174.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 40.8 mt -96.62 -8.71 30.97 Favored 'General case' 0 C--O 1.211 -0.947 0 O-C-N 118.945 -2.347 . . . . 75.51 109.423 -172.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.85 23.49 77.9 Favored Glycine 0 N--CA 1.448 -0.534 0 O-C-N 125.645 1.841 . . . . 74.1 114.396 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.9 p -143.65 141.99 25.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 113.048 0.759 . . . . 70.43 113.048 -172.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.96 89.69 1.92 Allowed 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 109.3 -0.63 . . . . 73.45 109.3 175.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -69.13 125.06 91.66 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 108.566 -0.902 . . . . 74.53 108.566 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -66.49 141.56 61.75 Favored 'Trans proline' 0 CA--C 1.517 -0.346 0 C-N-CA 120.799 0.999 . . . . 73.13 113.685 -177.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.9 tt -63.98 -21.77 29.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 121.452 -0.78 . . . . 71.4 109.194 173.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 32.7 mtm180 -60.47 -37.89 82.45 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.895 -0.503 . . . . 75.11 111.114 175.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -40.02 82.75 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 108.993 -0.743 . . . . 72.04 108.993 -177.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 35.5 mt -65.03 -42.66 94.16 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 116.27 -0.423 . . . . 71.23 111.168 178.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -70.08 -29.76 66.82 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.669 -0.413 . . . . 73.22 111.831 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.7 m -71.74 -30.46 65.64 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.058 0.456 . . . . 74.32 111.173 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.8 m -154.83 95.04 2.65 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 109.189 -0.671 . . . . 73.24 109.189 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -78.83 32.89 0.46 Allowed 'Trans proline' 0 CA--C 1.536 0.622 0 N-CA-C 116.03 1.512 . . . . 52.34 116.03 -174.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.4 p -125.26 153.14 71.88 Favored Pre-proline 0 N--CA 1.474 0.755 0 N-CA-C 107.192 -1.41 . . . . 75.41 107.192 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -67.71 -33.06 28.82 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 114.473 -3.218 . . . . 75.41 113.932 -173.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.87 -29.48 58.54 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.652 0.739 . . . . 74.44 109.596 174.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.3 -41.32 94.69 Favored Glycine 0 C--O 1.225 -0.407 0 N-CA-C 111.015 -0.834 . . . . 52.34 111.015 178.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.3 t -59.89 -42.25 88.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 N-CA-C 110.055 -0.35 . . . . 75.23 110.055 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.33 -41.27 79.67 Favored 'General case' 0 CA--C 1.564 1.507 0 CA-C-O 121.658 0.742 . . . . 72.33 111.088 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -72.34 -38.28 68.66 Favored 'General case' 0 C--O 1.223 -0.333 0 O-C-N 120.678 -1.264 . . . . 73.33 110.497 177.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.63 -41.76 87.84 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.928 0.344 . . . . 74.12 111.928 -176.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.2 pp -73.11 -29.43 62.91 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 110.234 -0.284 . . . . 74.03 110.234 178.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.91 -41.17 78.56 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.023 0.439 . . . . 72.51 110.584 177.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.94 99.54 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.02 0.378 . . . . 73.44 112.02 -177.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -74.01 -9.17 58.37 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.959 0.725 . . . . 71.43 112.959 -178.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.9 m -83.5 -15.33 49.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.259 -0.276 . . . . 72.13 110.738 177.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.25 142.72 30.93 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.291 -0.633 . . . . 71.45 109.291 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.0 m -77.25 -20.02 55.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.247 0.546 . . . . 75.25 110.516 176.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 82.8 t90 -71.54 131.45 43.28 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.936 -1.135 . . . . 74.45 107.936 178.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 62.2 m -137.57 144.35 41.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.736 0.303 . . . . 63.34 110.74 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 35.2 p-80 -92.47 152.16 41.93 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 107.305 -1.369 . . . . 73.02 107.305 173.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -72.39 160.77 46.09 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 116.927 -1.582 . . . . 71.11 111.896 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -125.18 135.0 52.17 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.761 -0.829 . . . . 75.02 108.761 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -104.85 137.78 42.11 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.353 -1.351 . . . . 75.32 107.353 173.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -155.05 -179.47 8.1 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.999 -0.741 . . . . 74.35 108.999 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.325 -0.845 . . . . 71.15 112.731 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.954 0 CA-C-O 118.435 -1.203 . . . . 63.55 111.367 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.23 -7.13 59.62 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 118.651 1.225 . . . . 74.21 112.093 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.3 ptm -75.4 159.0 31.89 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.326 -0.397 . . . . 60.33 111.341 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.37 160.76 15.4 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.858 -0.61 . . . . 64.32 112.387 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -61.54 140.65 58.07 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 114.713 -1.13 . . . . 75.4 109.745 176.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.2 151.23 94.27 Favored Pre-proline 0 C--O 1.292 3.31 0 C-N-CA 121.312 -0.155 . . . . 73.51 111.016 175.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -64.54 157.08 57.13 Favored 'Trans proline' 0 C--O 1.264 1.825 0 C-N-CA 121.645 1.563 . . . . 73.41 112.163 177.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -102.35 163.61 12.14 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 105.602 -1.999 . . . . 73.23 105.602 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 p -76.79 168.4 20.16 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.171 0.51 . . . . 74.45 111.582 -178.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.75 -22.01 65.03 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 116.436 -0.347 . . . . 74.3 111.096 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.5 m -77.68 -41.72 37.12 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.333 0.494 . . . . 64.13 112.333 -177.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.53 -44.1 84.87 Favored 'General case' 0 C--O 1.214 -0.813 0 N-CA-C 112.107 0.41 . . . . 73.15 112.107 -177.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -62.56 -33.46 74.98 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.48 0.548 . . . . 72.34 112.48 -176.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.2 t -72.44 -45.05 61.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 108.295 -1.002 . . . . 74.25 108.295 -178.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.2 mt -66.83 -40.87 88.15 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-N 115.418 -0.81 . . . . 70.21 111.897 -178.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t -62.4 -46.62 87.77 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.101 -1.074 . . . . 64.1 108.101 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.09 -41.82 97.17 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 119.38 -0.928 . . . . 73.35 111.115 -179.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 mp -61.0 -32.09 71.68 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.25 0.463 . . . . 74.24 112.25 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -63.06 -53.28 56.18 Favored 'General case' 0 C--O 1.21 -1.014 0 N-CA-C 108.943 -0.762 . . . . 75.45 108.943 177.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.02 -46.65 87.68 Favored 'General case' 0 CA--C 1.514 -0.41 0 O-C-N 122.381 -0.199 . . . . 73.25 111.371 -175.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.65 -36.48 83.96 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 113.115 0.783 . . . . 73.2 113.115 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.5 mt -83.29 -37.73 13.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 O-C-N 121.893 -0.505 . . . . 73.1 111.739 -178.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.8 mt -75.93 -25.08 55.63 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 122.341 0.256 . . . . 74.42 110.91 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.51 31.84 49.13 Favored Glycine 0 C--O 1.223 -0.559 0 C-N-CA 121.256 -0.497 . . . . 70.21 112.218 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.9 m -108.22 152.16 10.15 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.921 0 N-CA-C 109.644 -0.502 . . . . 75.01 109.644 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -62.15 -43.36 99.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.429 0.633 . . . . 74.41 112.421 -175.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.7 mtm180 -146.1 162.96 36.79 Favored 'General case' 0 CA--C 1.503 -0.827 0 N-CA-C 107.474 -1.306 . . . . 72.4 107.474 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.2 p -146.87 145.15 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.148 0 N-CA-C 106.125 -1.806 . . . . 74.34 106.125 -177.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.19 167.05 32.58 Favored Glycine 0 C--N 1.316 -0.55 0 O-C-N 121.95 -0.469 . . . . 63.41 112.873 177.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.8 m -74.74 -15.6 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 O-C-N 121.285 -1.126 . . . . 74.05 109.77 176.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -112.18 15.78 20.36 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.644 -1.162 . . . . 73.41 110.161 -177.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -83.37 122.1 28.03 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.112 -0.495 . . . . 72.55 111.269 -174.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.01 131.85 40.93 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.501 -0.926 . . . . 74.34 108.501 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -53.99 -36.5 63.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.349 0.595 . . . . 72.14 112.268 -178.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -81.13 -13.73 58.39 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.627 0.973 . . . . 73.12 113.627 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -74.5 -33.38 62.81 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.263 0.938 . . . . 73.02 109.318 -177.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -78.68 12.64 1.98 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.441 -0.8 . . . . 74.44 109.83 174.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.17 15.88 73.36 Favored Glycine 0 C--O 1.224 -0.505 0 C-N-CA 121.098 -0.572 . . . . 51.41 113.572 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.8 109.41 2.84 Favored Glycine 0 CA--C 1.524 0.609 0 C-N-CA 121.595 -0.336 . . . . 72.41 113.119 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.4 t -64.82 152.64 42.28 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 122.626 0.37 . . . . 74.12 111.506 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 m -62.71 -27.23 69.11 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.135 0.493 . . . . 51.42 110.697 175.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.93 -37.6 70.01 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 121.377 0.608 . . . . 65.3 110.094 175.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 42.2 tp -67.45 -30.2 69.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.067 -0.395 . . . . 63.42 110.451 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.23 -29.88 67.85 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-O 121.031 0.443 . . . . 65.23 111.762 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 62.9 mtt -65.04 -30.34 71.3 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 121.817 -0.552 . . . . 73.42 110.798 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -67.73 -38.93 84.2 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.669 -0.644 . . . . 74.21 110.221 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.9 tp -64.73 -46.49 82.04 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-N 115.574 -0.739 . . . . 70.11 109.368 -178.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.7 mt -61.75 -39.68 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 N-CA-C 109.79 -0.448 . . . . 74.34 109.79 178.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.81 -44.67 84.94 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.021 -0.424 . . . . 73.52 111.886 178.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -33.07 74.88 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.711 -0.618 . . . . 74.21 111.677 -178.108 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.5 mt -60.4 -33.55 54.54 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.401 0 O-C-N 123.453 0.47 . . . . 73.34 110.109 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -63.45 -32.31 73.71 Favored 'General case' 0 CA--C 1.499 -0.995 0 O-C-N 122.078 -0.389 . . . . 75.43 111.917 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -81.53 -38.09 26.76 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 108.152 -1.055 . . . . 71.22 108.152 -177.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -85.64 -37.94 18.92 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.063 0.764 . . . . 75.32 113.063 -170.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.5 mt -112.26 -6.07 14.11 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.207 0.527 . . . . 73.24 110.023 -174.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.27 23.91 76.17 Favored Glycine 0 C--O 1.222 -0.602 0 C-N-CA 120.229 -0.986 . . . . 73.3 113.888 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.6 p -138.19 144.4 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-N 118.113 0.956 . . . . 75.13 111.354 -174.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -77.19 116.38 17.77 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 108.68 -0.859 . . . . 74.33 108.68 174.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -75.83 118.39 70.68 Favored Pre-proline 0 C--N 1.329 -0.301 0 N-CA-C 108.723 -0.843 . . . . 70.04 108.723 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.444 ' HG2' HE21 ' A' ' 63' ' ' GLN . 27.6 Cg_exo -64.78 129.69 24.13 Favored 'Trans proline' 0 N--CA 1.478 0.566 0 C-N-CA 118.276 -0.683 . . . . 71.24 110.728 177.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.8 tt -62.4 -23.22 31.62 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 O-C-N 120.735 -1.228 . . . . 74.43 111.495 -178.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -66.57 -39.31 88.4 Favored 'General case' 0 C--O 1.22 -0.476 0 O-C-N 121.897 -0.502 . . . . 72.34 111.787 173.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.444 HE21 ' HG2' ' A' ' 60' ' ' PRO . 2.6 mp0 -60.38 -39.3 86.78 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 109.448 -0.575 . . . . 75.3 109.448 177.089 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 tp -70.39 -49.54 48.0 Favored 'General case' 0 C--O 1.215 -0.731 0 N-CA-C 112.614 0.598 . . . . 73.4 112.614 178.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -71.82 -30.01 65.04 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.734 0.642 . . . . 65.43 112.734 -174.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.9 t -76.1 -22.65 55.31 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 121.796 -0.565 . . . . 74.31 111.495 -178.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.8 p -153.12 79.27 5.67 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 108.372 -0.973 . . . . 63.24 108.372 -178.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -78.73 23.9 0.6 Allowed 'Trans proline' 0 CA--C 1.533 0.454 0 N-CA-C 117.376 2.029 . . . . 73.41 117.376 -170.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 55.5 p -106.67 154.03 40.31 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 106.874 -1.528 . . . . 74.25 106.874 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -67.93 -31.26 31.43 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 113.306 -3.996 . . . . 75.45 114.042 -173.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.59 -28.92 61.12 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.153 -0.619 . . . . 74.02 109.376 175.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.62 -50.8 40.29 Favored Glycine 0 C--O 1.226 -0.377 0 N-CA-C 109.709 -1.356 . . . . 55.14 109.709 179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.0 t -59.46 -35.94 61.66 Favored 'Isoleucine or valine' 0 C--O 1.257 1.488 0 N-CA-C 108.564 -0.902 . . . . 71.01 108.564 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.3 -49.07 73.23 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 112.823 0.675 . . . . 54.53 112.823 -177.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.9 ptt-85 -71.15 -33.56 70.16 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.702 -0.623 . . . . 73.43 112.144 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.16 -39.27 82.64 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.037 -0.529 . . . . 65.14 111.308 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 pp -77.27 -28.0 53.33 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.922 -0.486 . . . . 74.43 110.503 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.13 -35.35 78.47 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 109.243 -0.651 . . . . 73.53 109.243 173.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.88 -14.76 62.89 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 112.505 0.557 . . . . 74.0 112.505 178.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -60.82 -31.0 70.42 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 109.084 -0.71 . . . . 75.42 109.084 176.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.5 m -66.43 -32.42 73.79 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.372 0.508 . . . . 73.51 112.372 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.96 -25.42 55.87 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.471 0.653 . . . . 74.43 110.25 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.3 m -75.8 -0.86 22.57 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 113.227 0.825 . . . . 74.11 113.227 -178.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 51.9 t-105 -61.17 -42.07 97.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.835 0.35 . . . . 75.53 111.066 177.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.2 t -86.22 109.22 18.77 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.779 -0.823 . . . . 75.43 108.779 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 30.7 p-80 -79.09 149.38 73.12 Favored Pre-proline 0 C--N 1.321 -0.673 0 N-CA-C 109.534 -0.543 . . . . 73.14 109.534 178.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -77.27 175.81 10.87 Favored 'Trans proline' 0 C--N 1.348 0.506 0 O-C-N 121.982 0.464 . . . . 73.2 111.673 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -67.35 141.22 57.19 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.72 -0.844 . . . . 75.25 108.72 176.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -73.88 138.99 44.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.968 0.413 . . . . 72.22 112.072 -176.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -99.73 167.77 10.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.48 -0.782 . . . . 75.45 109.824 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.38 0 N-CA-C 104.64 -2.356 . . . . 65.31 104.64 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 CA-C-O 118.45 -1.195 . . . . 74.2 111.087 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.03 -30.93 62.69 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.444 1.122 . . . . 74.32 110.375 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -76.63 143.12 40.37 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.827 -0.624 . . . . 75.32 109.933 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.08 155.37 40.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.012 0.434 . . . . 75.4 110.398 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -83.87 143.49 29.86 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 108.773 -0.825 . . . . 73.0 108.773 175.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.02 155.76 86.37 Favored Pre-proline 0 CA--C 1.543 0.677 0 N-CA-C 107.438 -1.319 . . . . 74.32 107.438 173.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -72.4 159.59 48.92 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 118.35 -0.633 . . . . 73.54 112.815 177.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -76.91 146.67 37.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.505 -0.77 . . . . 75.3 110.314 179.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.6 p -83.54 165.37 19.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.571 0.701 . . . . 62.15 111.041 178.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.52 -34.18 70.69 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.1 0.778 . . . . 73.44 113.1 -178.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.8 -42.06 58.81 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.266 0.469 . . . . 72.54 112.266 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 -61.41 -40.39 94.22 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.352 0.501 . . . . 63.43 112.352 -173.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -65.53 -32.55 74.21 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.484 0.55 . . . . 74.54 112.484 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 75.4 t -75.24 -44.93 42.49 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 N-CA-C 108.614 -0.884 . . . . 72.11 108.614 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.0 mt -62.55 -38.92 91.9 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 116.253 -0.431 . . . . 73.33 110.586 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 17.7 t -58.72 -49.37 77.86 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.876 -0.787 . . . . 71.31 108.876 175.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.26 -36.95 85.69 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 113.054 0.761 . . . . 62.2 113.054 -178.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.0 -28.05 69.24 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 121.773 -0.58 . . . . 75.32 111.598 177.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -64.05 -47.49 79.97 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 119.491 1.041 . . . . 73.11 108.52 178.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.11 -33.67 75.95 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.365 0.506 . . . . 64.52 112.365 -177.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -61.84 -34.03 75.23 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.179 0.514 . . . . 74.15 112.038 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.3 mm -89.75 -36.69 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.357 0 CA-C-N 114.531 -1.213 . . . . 73.21 112.425 -174.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.2 mt -80.19 -27.09 38.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.855 -1.066 . . . . 74.53 112.575 -177.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.78 31.27 62.62 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 120.45 -0.881 . . . . 64.4 112.714 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.1 m -103.9 158.36 5.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.308 -0.627 . . . . 75.22 109.308 -178.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -61.49 -47.52 85.26 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.983 0.896 . . . . 75.11 111.223 -178.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -144.67 161.99 37.79 Favored 'General case' 0 CA--C 1.476 -1.879 0 CA-C-N 114.95 -1.023 . . . . 73.12 109.083 -178.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.4 p -147.4 145.87 18.74 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.118 0 N-CA-C 103.398 -2.816 . . . . 62.15 103.398 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.39 167.51 21.36 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.329 -0.708 . . . . 70.33 111.329 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -22.27 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 CA-C-O 122.163 0.982 . . . . 75.23 110.45 179.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -103.85 14.26 31.22 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 113.759 -1.564 . . . . 73.13 111.744 -177.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.89 130.89 35.27 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 114.401 1.26 . . . . 75.4 114.401 -171.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.8 115.79 16.9 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 120.786 -0.366 . . . . 73.0 110.323 -178.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -47.56 -44.51 26.18 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 114.091 1.145 . . . . 75.22 114.091 -177.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -73.96 -17.64 60.98 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 114.074 1.139 . . . . 75.4 114.074 -175.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -73.69 -34.08 64.7 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.524 0.678 . . . . 64.13 109.386 -178.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.86 17.3 1.21 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.302 -0.863 . . . . 75.25 110.753 176.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.91 18.62 69.52 Favored Glycine 0 C--O 1.236 0.271 0 C-N-CA 121.032 -0.604 . . . . 74.32 112.886 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.84 87.63 0.29 Allowed Glycine 0 CA--C 1.516 0.142 0 CA-C-O 122.213 0.896 . . . . 73.32 113.925 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.0 p -71.71 166.26 22.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.275 0.559 . . . . 75.24 110.872 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.2 p -61.18 -28.96 69.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.018 0.437 . . . . 74.14 110.799 176.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.41 -42.81 87.23 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.374 -0.375 . . . . 72.5 110.224 177.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.9 mt -68.05 -35.68 78.63 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.538 -0.171 . . . . 74.53 110.538 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.73 -37.34 70.84 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.077 0.399 . . . . 75.24 112.077 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.5 mmt -62.78 -33.02 74.31 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 112.228 0.455 . . . . 75.34 112.228 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -73.87 -33.61 64.14 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.813 -0.554 . . . . 74.12 109.641 178.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.97 -43.5 82.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.217 0.532 . . . . 73.2 109.982 178.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.09 -37.55 78.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.106 -0.701 . . . . 71.44 109.106 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.14 -43.66 86.43 Favored 'General case' 0 C--O 1.205 -1.237 0 C-N-CA 120.723 -0.391 . . . . 62.13 111.231 177.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -62.96 -41.26 99.47 Favored 'General case' 0 CA--C 1.493 -1.241 0 O-C-N 121.472 -0.767 . . . . 72.3 110.637 179.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.1 mt -56.37 -33.61 38.66 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 N-CA-C 113.02 0.748 . . . . 74.04 113.02 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.8 mtm105 -65.71 -32.98 74.83 Favored 'General case' 0 C--O 1.196 -1.749 0 N-CA-C 113.876 1.065 . . . . 74.32 113.876 178.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -78.73 -37.41 41.43 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 107.898 -1.149 . . . . 75.22 107.898 -175.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -90.08 -48.49 7.16 Favored 'General case' 0 N--CA 1.435 -1.194 0 CA-C-N 114.328 -1.306 . . . . 64.52 111.958 -169.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 67.2 mt -98.76 -8.84 25.36 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 121.635 0.731 . . . . 73.53 111.512 -177.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.26 18.61 79.98 Favored Glycine 0 N--CA 1.466 0.646 0 N-CA-C 115.632 1.013 . . . . 74.33 115.632 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.9 m -143.33 155.2 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 117.79 0.795 . . . . 73.23 110.428 -176.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -82.91 122.07 27.78 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.56 -0.904 . . . . 71.15 108.56 175.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -69.1 121.89 83.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 107.9 -1.148 . . . . 75.52 107.9 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.76 111.24 1.64 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 O-C-N 121.896 0.419 . . . . 75.34 111.45 177.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.7 tt -58.85 -24.39 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-O 121.079 0.466 . . . . 74.35 112.217 -177.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.43 -39.73 88.5 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.609 -0.682 . . . . 73.25 110.88 174.225 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -77.08 -30.82 55.64 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.722 -0.474 . . . . 74.5 109.722 -177.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.0 tp -64.85 -47.34 78.27 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-O 121.144 0.497 . . . . 75.13 110.574 177.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -73.63 -25.57 60.36 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.069 -0.653 . . . . 74.04 111.994 -179.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.4 m -75.69 -24.58 56.29 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.855 0.359 . . . . 74.4 110.79 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.9 m -147.73 87.68 5.84 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 108.742 -0.836 . . . . 71.04 108.742 -178.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -75.62 8.61 2.57 Favored 'Trans proline' 0 N--CA 1.475 0.413 0 N-CA-C 115.624 1.356 . . . . 72.25 115.624 -174.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 65.6 p -98.12 149.22 35.51 Favored Pre-proline 0 C--N 1.327 -0.385 0 N-CA-C 108.95 -0.759 . . . . 72.22 108.95 177.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.05 -30.29 32.36 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 116.257 -2.029 . . . . 73.01 113.544 -175.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.4 -29.98 53.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.56 -0.713 . . . . 64.23 110.552 173.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.61 -47.09 58.7 Favored Glycine 0 CA--C 1.501 -0.823 0 N-CA-C 110.562 -1.015 . . . . 71.34 110.562 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.2 p -64.49 -35.1 73.5 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.373 0 N-CA-C 109.202 -0.666 . . . . 74.01 109.202 -177.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.19 97.09 Favored 'General case' 0 C--O 1.212 -0.873 0 O-C-N 123.45 0.469 . . . . 74.04 111.281 177.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -74.63 -33.19 62.51 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.387 -0.369 . . . . 72.34 110.508 -178.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.99 -41.12 78.27 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 112.21 0.448 . . . . 72.42 112.21 178.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.2 pp -77.42 -29.34 52.97 Favored 'General case' 0 C--O 1.219 -0.505 0 O-C-N 121.853 -0.529 . . . . 72.21 110.637 177.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.33 -32.41 74.0 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.814 -0.554 . . . . 61.33 110.144 175.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.87 -15.73 63.19 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-N 116.459 -0.337 . . . . 73.43 111.469 177.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -88.03 -17.07 31.95 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.718 0.636 . . . . 75.11 112.718 179.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.9 p -98.88 -2.58 37.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.995 0.426 . . . . 72.12 110.442 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.88 154.06 42.47 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.298 -0.63 . . . . 74.32 109.298 176.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.8 m -60.6 -22.17 63.46 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 113.71 1.004 . . . . 74.32 113.71 -178.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 15.0 m-90 -130.54 136.02 48.51 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 105.968 -1.864 . . . . 74.1 105.968 173.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.5 t -150.64 162.64 40.28 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.806 -0.813 . . . . 72.43 108.806 -178.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -67.04 151.27 97.31 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 108.686 -0.857 . . . . 74.43 108.686 176.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.7 159.35 54.05 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 117.039 -1.507 . . . . 75.34 112.069 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -157.08 -44.66 0.07 Allowed 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.507 -0.315 . . . . 73.54 110.825 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -114.08 158.76 20.81 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.984 -1.117 . . . . 72.31 107.984 176.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -154.34 177.84 10.7 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 104.348 -2.464 . . . . 74.54 104.348 177.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? . . . . . 0 C--O 1.243 0.743 0 CA-C-O 117.749 -1.12 . . . . 73.42 109.858 179.402 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.864 0 CA-C-O 118.994 -0.892 . . . . 74.22 111.092 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.42 -29.72 59.83 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 118.356 1.078 . . . . 75.32 109.823 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -74.11 148.86 41.42 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.096 -0.502 . . . . 75.2 110.23 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.94 145.03 56.58 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 107.956 -1.127 . . . . 71.15 107.956 174.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -72.81 156.03 39.32 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 109.357 -0.608 . . . . 73.45 109.357 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.92 151.6 97.06 Favored Pre-proline 0 C--O 1.244 0.776 0 N-CA-C 107.489 -1.3 . . . . 75.51 107.489 175.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -71.83 159.72 49.84 Favored 'Trans proline' 0 C--O 1.218 -0.486 0 CA-C-O 121.4 0.5 . . . . 74.41 111.039 176.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -81.69 153.11 26.76 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.94 -0.573 . . . . 73.34 111.224 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.2 m -80.38 148.32 30.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.217 0.532 . . . . 63.35 111.673 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.65 -25.78 68.37 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 112.694 0.627 . . . . 72.44 112.694 -177.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.52 -39.37 93.31 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 114.347 1.24 . . . . 74.44 114.347 -177.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -40.13 93.26 Favored 'General case' 0 C--O 1.202 -1.415 0 N-CA-C 114.174 1.176 . . . . 61.23 114.174 -173.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -69.11 -30.95 69.34 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 120.614 -0.434 . . . . 74.42 111.167 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.3 t -70.52 -44.03 77.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 107.511 -1.292 . . . . 70.33 107.511 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.6 mt -63.26 -43.09 98.96 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.131 -0.94 . . . . 74.14 110.901 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -45.03 88.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.608 -0.269 . . . . 74.31 111.175 177.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.43 -41.95 83.94 Favored 'General case' 0 C--O 1.212 -0.889 0 C-N-CA 120.459 -0.497 . . . . 71.24 111.438 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.3 mt -64.47 -29.93 70.97 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 121.967 -0.458 . . . . 72.1 111.766 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -59.42 -46.0 89.95 Favored 'General case' 0 C--O 1.247 0.953 0 N-CA-C 108.339 -0.986 . . . . 75.14 108.339 174.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.06 -43.21 99.23 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 113.013 0.745 . . . . 51.55 113.013 -179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -60.03 -33.37 71.92 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 112.626 0.602 . . . . 73.54 112.626 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.2 mm -90.7 -37.36 9.3 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 N-CA-C 114.134 1.161 . . . . 70.03 114.134 -177.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.4 mt -88.48 -23.96 23.1 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 122.869 0.468 . . . . 74.31 112.007 -175.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.83 25.95 65.96 Favored Glycine 0 C--O 1.224 -0.516 0 C-N-CA 121.408 -0.425 . . . . 74.4 113.124 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.1 m -97.91 152.69 4.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.992 0.425 . . . . 71.12 109.897 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -69.53 -29.65 67.3 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 114.499 1.296 . . . . 55.23 114.499 -173.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 35.3 ptt85 -149.07 166.17 29.53 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.639 -0.71 . . . . 74.03 111.186 177.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.4 t -137.17 137.16 46.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 107.827 -1.175 . . . . 74.32 107.827 177.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.88 166.51 13.54 Favored Glycine 0 C--O 1.218 -0.903 0 N-CA-C 110.04 -1.224 . . . . 72.31 110.04 175.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 30.2 m -64.97 -22.81 32.16 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.481 0 CA-C-N 118.145 0.972 . . . . 71.11 113.061 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -108.25 15.03 24.46 Favored 'General case' 0 C--O 1.212 -0.896 0 CA-C-O 121.7 0.762 . . . . 73.35 112.66 -178.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.65 113.3 18.75 Favored 'General case' 0 N--CA 1.443 -0.797 0 O-C-N 121.007 -1.058 . . . . 74.2 111.157 -174.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.9 120.92 22.7 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-O 121.643 0.735 . . . . 60.33 110.9 -175.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -46.6 -42.8 16.67 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 114.806 -1.088 . . . . 75.31 113.331 -178.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -74.2 -21.53 59.77 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.397 1.258 . . . . 54.34 114.397 -176.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -85.96 -19.44 30.42 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 109.106 -0.702 . . . . 71.32 109.106 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.0 mt -89.32 20.21 3.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.068 -0.969 . . . . 64.04 110.386 175.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.08 4.24 72.05 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 115.586 0.994 . . . . 63.23 115.586 177.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.48 151.76 51.63 Favored Glycine 0 C--O 1.219 -0.823 0 CA-C-O 122.127 0.848 . . . . 71.2 113.475 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.1 t -141.55 164.92 28.92 Favored 'General case' 0 CA--C 1.5 -0.943 0 N-CA-C 107.175 -1.417 . . . . 63.43 107.175 -177.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.1 m -61.0 -29.04 69.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.945 0.403 . . . . 72.01 110.029 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.53 -41.46 98.48 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.045 0.45 . . . . 72.0 110.585 176.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.6 mt -79.21 -27.74 42.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.174 -0.466 . . . . 74.03 110.373 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.96 -37.76 83.52 Favored 'General case' 0 C--O 1.204 -1.302 0 N-CA-C 109.52 -0.548 . . . . 64.11 109.52 178.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.4 mmt -64.15 -33.84 76.71 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 122.161 -0.337 . . . . 72.11 111.356 177.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -70.82 -37.34 73.2 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 122.068 -0.395 . . . . 75.51 110.861 176.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 52.2 tp -62.95 -46.42 87.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.725 0.774 . . . . 75.44 109.42 178.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.7 mt -62.2 -38.04 80.03 Favored 'Isoleucine or valine' 0 C--N 1.343 0.286 0 N-CA-C 109.382 -0.599 . . . . 73.4 109.382 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.61 -42.67 99.72 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 120.137 -0.625 . . . . 75.41 111.062 178.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.8 mmt85 -66.57 -32.1 73.22 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 121.123 0.487 . . . . 73.31 111.543 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.6 mt -66.42 -31.06 51.89 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.356 0 N-CA-C 108.485 -0.931 . . . . 75.31 108.485 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -66.37 -28.53 68.72 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 118.334 0.516 . . . . 73.51 111.931 175.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -77.93 -40.25 40.19 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 107.979 -1.119 . . . . 75.31 107.979 -178.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -88.18 -40.31 13.81 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 115.822 1.786 . . . . 55.02 115.822 -173.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.9 mt -109.33 -5.92 15.68 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-O 121.14 0.495 . . . . 75.12 109.776 -175.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.7 16.55 76.13 Favored Glycine 0 N--CA 1.465 0.614 0 N-CA-C 115.042 0.777 . . . . 54.32 115.042 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 30.6 m -140.83 157.16 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 117.464 0.632 . . . . 71.51 111.171 -176.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.57 108.98 20.28 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.447 -0.575 . . . . 74.11 109.447 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.59 120.44 68.35 Favored Pre-proline 0 CA--C 1.539 0.541 0 N-CA-C 108.906 -0.776 . . . . 71.33 108.906 177.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.432 ' HG2' HE21 ' A' ' 63' ' ' GLN . 9.6 Cg_endo -60.8 125.74 17.96 Favored 'Trans proline' 0 CA--C 1.471 -2.642 0 CA-C-N 119.307 0.788 . . . . 72.24 112.498 175.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.9 tt -60.19 -21.38 22.26 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 CA-C-O 122.06 0.933 . . . . 73.31 113.446 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -61.28 -36.17 79.32 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-O 122.271 1.034 . . . . 71.21 111.709 176.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.432 HE21 ' HG2' ' A' ' 60' ' ' PRO . 0.0 OUTLIER -75.21 -36.98 61.33 Favored 'General case' 0 N--CA 1.394 -3.243 0 CA-C-N 113.433 -1.712 . . . . 74.22 110.787 -175.843 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.8 tp -64.42 -42.34 96.09 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.678 -0.692 . . . . 73.04 112.578 172.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -70.76 -31.5 68.33 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.633 -0.667 . . . . 74.01 111.936 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.3 m -74.3 -26.38 60.14 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.095 0.474 . . . . 71.52 110.863 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.2 m -149.28 91.04 4.55 Favored Pre-proline 0 C--O 1.219 -0.551 0 N-CA-C 109.211 -0.663 . . . . 63.24 109.211 -178.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -77.52 1.17 9.06 Favored 'Trans proline' 0 C--O 1.216 -0.577 0 N-CA-C 116.766 1.795 . . . . 72.23 116.766 -174.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 72.2 p -92.98 154.2 41.81 Favored Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 108.975 -0.75 . . . . 52.01 108.975 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -67.5 -33.05 30.23 Favored 'Trans proline' 0 CA--C 1.535 0.534 0 C-N-CA 115.842 -2.305 . . . . 73.21 113.983 -177.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.24 -32.84 63.14 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 121.595 -0.691 . . . . 72.23 109.891 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.76 -48.0 58.01 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 110.665 -0.974 . . . . 70.01 110.665 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.1 p -68.31 -27.47 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.563 0 C-N-CA 119.736 -0.785 . . . . 71.31 110.326 -177.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.58 -48.35 69.86 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-O 121.789 0.804 . . . . 43.33 110.426 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -70.84 -33.34 70.56 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.138 -0.976 . . . . 65.44 110.232 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.0 89.74 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 112.192 0.441 . . . . 74.11 112.192 178.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 pp -75.9 -32.74 59.79 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.323 -0.551 . . . . 75.44 110.303 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.62 -31.18 72.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.956 0.408 . . . . 55.21 110.947 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.01 -15.77 46.61 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.499 0.555 . . . . 65.41 112.499 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -68.43 -26.26 65.43 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.435 -0.791 . . . . 75.21 112.693 177.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.5 t -69.09 -37.79 78.63 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.509 -0.923 . . . . 55.15 108.509 176.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.83 -22.52 62.32 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 121.509 0.671 . . . . 75.12 110.343 177.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.6 m -88.44 14.14 10.35 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.612 -0.722 . . . . 61.42 111.604 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 58.5 30.11 19.28 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.662 0.986 . . . . 71.23 113.662 176.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 54.0 m -69.55 141.46 53.82 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.689 -0.632 . . . . 75.13 110.397 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -68.92 145.14 96.5 Favored Pre-proline 0 C--O 1.242 0.678 0 CA-C-N 116.348 -0.387 . . . . 73.31 111.034 -177.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -77.44 168.61 22.52 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 118.287 -0.676 . . . . 74.45 112.19 178.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -75.02 157.71 34.43 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.131 -1.433 . . . . 73.15 107.131 174.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -65.59 138.88 58.32 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.969 -0.752 . . . . 74.22 108.969 176.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -71.06 163.45 27.56 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 108.217 -1.031 . . . . 73.24 108.217 177.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 108.653 -0.869 . . . . 64.31 108.653 -178.337 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.523 0 CA-C-O 118.785 -1.008 . . . . 74.34 111.239 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.99 159.69 32.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 117.998 0.899 . . . . 63.12 108.734 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 67.0 mtt -78.66 145.92 34.34 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.373 -0.973 . . . . 71.33 108.373 175.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.84 155.24 33.13 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.177 -0.675 . . . . 70.02 109.177 177.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -64.49 125.18 23.85 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 106.377 -1.712 . . . . 75.24 106.377 173.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.88 143.93 98.89 Favored Pre-proline 0 C--O 1.244 0.766 0 N-CA-C 109.437 -0.579 . . . . 52.45 109.437 -179.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -75.64 179.35 6.31 Favored 'Trans proline' 0 C--N 1.349 0.565 0 O-C-N 122.498 0.736 . . . . 70.24 111.074 176.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -61.27 124.66 21.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.26 0.552 . . . . 73.43 109.626 177.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 m -80.7 156.46 26.28 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.202 -0.666 . . . . 72.21 109.202 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.53 -26.75 63.83 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.01 0.433 . . . . 64.11 111.311 177.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.31 -36.68 79.67 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.006 0.743 . . . . 71.21 113.006 177.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -63.62 -41.27 98.31 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.646 -0.252 . . . . 61.5 111.334 -171.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -68.01 -30.89 70.24 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 120.486 -0.486 . . . . 74.41 112.105 178.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.3 t -70.04 -46.06 74.23 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.568 0 N-CA-C 107.377 -1.342 . . . . 74.44 107.377 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -63.64 -38.76 92.35 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.46 -0.336 . . . . 73.53 111.358 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.0 m -57.43 -47.98 80.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.907 0.384 . . . . 64.14 110.463 174.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.68 -35.28 78.54 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.342 -0.849 . . . . 73.23 111.337 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.6 mt -65.7 -32.91 74.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.199 -0.313 . . . . 74.11 111.021 179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -63.32 -49.38 74.2 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 106.938 -1.504 . . . . 75.14 106.938 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.51 -47.78 78.59 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.358 0.599 . . . . 73.5 111.989 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.421 ' HB3' HH12 ' A' ' 50' ' ' ARG . 39.9 mm-40 -60.39 -34.69 74.27 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.506 0.928 . . . . 75.21 113.506 -177.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.9 mt -92.33 -37.87 9.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 112.726 0.639 . . . . 72.13 112.726 -173.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.0 mt -85.77 -24.87 26.68 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 123.259 0.624 . . . . 72.53 111.643 -176.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.32 33.78 31.06 Favored Glycine 0 C--O 1.225 -0.445 0 C-N-CA 120.667 -0.778 . . . . 64.34 112.931 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 m -108.07 147.82 12.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-O 120.995 0.426 . . . . 75.42 110.039 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -72.44 -26.68 61.93 Favored 'General case' 0 CA--C 1.503 -0.863 0 N-CA-C 114.539 1.311 . . . . 75.14 114.539 -175.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.2 tpt85 -143.95 158.7 43.53 Favored 'General case' 0 N--CA 1.438 -1.059 0 O-C-N 121.877 -0.514 . . . . 72.32 109.852 -177.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.2 t -148.09 133.82 11.64 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.309 0 N-CA-C 106.989 -1.485 . . . . 74.33 106.989 175.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.39 171.16 31.96 Favored Glycine 0 C--N 1.342 0.906 0 N-CA-C 110.782 -0.927 . . . . 74.32 110.782 175.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.43 -22.91 20.82 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.846 0 C-N-CA 119.883 -0.727 . . . . 74.54 109.229 179.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -107.95 15.89 23.97 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-N 114.593 -1.185 . . . . 71.12 112.134 -176.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.98 126.9 31.03 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 112.659 0.615 . . . . 63.25 112.659 -175.137 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.96 116.12 18.22 Favored 'General case' 0 C--O 1.211 -0.951 0 CA-C-O 121.561 0.696 . . . . 74.14 109.258 -177.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -51.77 -40.91 61.14 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 115.431 -0.804 . . . . 72.41 111.657 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -76.25 -22.93 54.57 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.565 0.95 . . . . 73.1 113.565 -177.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -77.18 -31.3 55.3 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 107.566 -1.272 . . . . 72.12 107.566 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.7 mt -76.17 11.89 1.35 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.759 -1.109 . . . . 74.12 111.275 173.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.47 4.72 76.43 Favored Glycine 0 N--CA 1.464 0.552 0 CA-C-O 122.466 1.037 . . . . 62.22 115.37 177.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.73 83.1 0.29 Allowed Glycine 0 CA--C 1.529 0.945 0 N-CA-C 115.329 0.892 . . . . 62.52 115.329 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 50.4 m -66.48 161.93 21.75 Favored 'General case' 0 C--O 1.218 -0.557 0 O-C-N 122.671 -0.311 . . . . 62.35 110.848 176.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.3 m -58.79 -29.45 66.83 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.338 0.866 . . . . 74.33 113.338 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.18 -37.89 75.26 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.267 0.556 . . . . 71.35 110.258 176.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.9 tp -70.35 -29.32 65.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.414 0.626 . . . . 73.43 109.541 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.35 -30.07 66.45 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-O 122.002 0.906 . . . . 75.3 112.751 175.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 95.6 mtp -62.98 -35.18 79.33 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 120.829 -1.169 . . . . 74.25 110.048 178.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 ttm-85 -68.39 -36.28 78.91 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.476 -0.765 . . . . 75.31 109.549 177.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 53.2 tp -64.02 -47.42 80.33 Favored 'General case' 0 C--O 1.219 -0.553 0 N-CA-C 109.816 -0.438 . . . . 64.14 109.816 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.7 mt -60.51 -40.09 83.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.907 -0.588 . . . . 74.11 110.217 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.64 94.1 Favored 'General case' 0 C--O 1.213 -0.849 0 C-N-CA 121.308 -0.157 . . . . 75.54 110.927 178.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.421 HH12 ' HB3' ' A' ' 21' ' ' GLU . 8.2 tpt180 -67.48 -34.36 76.99 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 123.521 0.513 . . . . 70.52 109.831 -176.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.6 mt -63.4 -27.67 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.291 0 N-CA-C 108.832 -0.803 . . . . 75.11 108.832 -175.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -63.0 -33.05 74.6 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-O 121.232 0.539 . . . . 75.02 112.287 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -80.43 -37.17 32.57 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.133 -1.062 . . . . 70.41 108.133 -174.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -82.75 -38.9 22.6 Favored 'General case' 0 C--O 1.188 -2.157 0 N-CA-C 114.475 1.287 . . . . 74.22 114.475 -174.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 mt -117.18 -2.16 11.71 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 113.618 0.97 . . . . 74.01 113.618 -171.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.29 26.14 74.33 Favored Glycine 0 C--O 1.219 -0.828 0 CA-C-N 115.79 -0.641 . . . . 61.44 111.77 178.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.9 p -145.13 148.26 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 O-C-N 122.148 -0.619 . . . . 75.51 111.349 -171.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -92.75 117.81 30.4 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.017 -1.105 . . . . 71.24 108.017 174.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.3 tp -64.71 125.04 88.0 Favored Pre-proline 0 C--N 1.321 -0.633 0 C-N-CA 120.175 -0.61 . . . . 71.53 110.845 -177.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.67 120.1 7.29 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 118.275 -0.683 . . . . 71.12 111.035 172.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.2 tt -63.82 -23.24 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 O-C-N 121.685 -0.634 . . . . 73.13 112.006 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.2 mtp85 -63.39 -34.38 77.6 Favored 'General case' 0 CA--C 1.503 -0.855 0 CA-C-O 119.247 -0.406 . . . . 75.01 110.153 174.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -37.63 69.87 Favored 'General case' 0 C--O 1.206 -1.21 0 CA-C-N 119.704 1.138 . . . . 60.34 108.847 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.4 tp -64.96 -45.42 85.77 Favored 'General case' 0 C--O 1.213 -0.867 0 C-N-CA 120.578 -0.449 . . . . 72.42 111.448 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.0 m-30 -70.46 -26.86 63.84 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.393 -0.523 . . . . 72.34 112.118 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.7 t -78.29 -26.11 46.9 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.358 0.599 . . . . 73.33 111.156 178.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.3 m -148.89 87.96 5.31 Favored Pre-proline 0 N--CA 1.449 -0.493 0 N-CA-C 108.45 -0.944 . . . . 71.21 108.45 -177.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -78.73 24.98 0.56 Allowed 'Trans proline' 0 N--CA 1.48 0.685 0 C-N-CA 122.041 1.827 . . . . 70.34 116.113 -175.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.4 p -117.38 153.77 50.22 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 108.661 -0.866 . . . . 72.24 108.661 178.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.95 -28.15 24.67 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 115.841 -2.306 . . . . 70.24 112.608 -174.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.2 -37.07 46.4 Favored 'General case' 0 N--CA 1.439 -0.994 0 C-N-CA 119.439 -0.905 . . . . 74.41 112.063 173.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.39 -43.57 87.2 Favored Glycine 0 C--N 1.308 -1.018 0 C-N-CA 119.348 -1.406 . . . . 52.32 109.882 -175.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.45 -33.66 65.2 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 113.752 1.019 . . . . 74.34 113.752 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.57 -41.27 96.39 Favored 'General case' 0 C--O 1.209 -1.038 0 O-C-N 121.588 -0.695 . . . . 75.43 110.853 178.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -76.47 -37.02 57.54 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 124.9 2.286 . . . . 75.13 108.591 -173.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.6 -43.85 95.74 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 111.76 -2.473 . . . . 74.33 110.529 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.01 -32.6 61.67 Favored 'General case' 0 C--O 1.212 -0.889 0 O-C-N 121.285 -0.884 . . . . 74.54 111.125 176.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.73 -30.23 70.63 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.475 -0.49 . . . . 61.44 111.337 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.74 -27.19 67.75 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 116.598 -0.274 . . . . 72.43 111.213 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -68.75 -12.4 61.41 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 113.085 0.772 . . . . 72.31 113.085 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 90.2 p -85.26 -9.65 57.46 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 122.223 -0.298 . . . . 72.14 111.433 177.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -96.22 166.09 11.9 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.591 -0.522 . . . . 74.31 109.591 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 m -71.64 -1.24 12.99 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 113.191 0.812 . . . . 75.54 113.191 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 6.8 p90 -139.27 131.19 27.72 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 105.014 -2.217 . . . . 73.3 105.014 177.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 82.3 p -152.93 174.28 14.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.967 0.413 . . . . 64.34 111.604 -173.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -69.69 144.64 94.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.033 -0.728 . . . . 75.33 109.033 178.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.24 151.53 66.36 Favored 'Trans proline' 0 C--O 1.241 0.658 0 C-N-CA 117.238 -1.375 . . . . 74.11 114.681 -176.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -144.45 148.79 35.02 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 104.363 -2.458 . . . . 75.42 104.363 178.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -113.32 151.11 31.6 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 123.645 0.591 . . . . 74.13 109.576 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -85.63 -159.3 0.44 Allowed 'General case' 0 C--N 1.321 -0.669 0 O-C-N 124.059 0.849 . . . . 73.01 109.859 -178.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp . . . . . 0 C--O 1.244 0.807 0 N-CA-C 107.117 -1.438 . . . . 74.34 107.117 179.274 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.999 0 CA-C-O 117.565 -1.686 . . . . 74.25 111.18 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.86 153.26 48.3 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 105.829 -1.915 . . . . 63.32 105.829 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.8 ptt? -76.95 152.29 35.34 Favored 'General case' 0 C--O 1.244 0.776 0 O-C-N 123.161 0.288 . . . . 75.14 110.36 -178.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.57 152.51 35.92 Favored 'General case' 0 C--O 1.249 1.05 0 N-CA-C 108.919 -0.771 . . . . 70.43 108.919 177.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -80.73 148.35 30.16 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 106.032 -1.84 . . . . 74.44 106.032 172.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.82 153.8 95.56 Favored Pre-proline 0 C--N 1.313 -0.993 0 N-CA-C 106.155 -1.794 . . . . 75.34 106.155 174.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -69.6 162.87 40.3 Favored 'Trans proline' 0 CA--C 1.514 -0.512 0 C-N-CA 115.465 -2.557 . . . . 74.43 114.032 177.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.52 151.97 27.15 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.265 -0.88 . . . . 73.34 110.872 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.0 m -114.47 150.83 34.19 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.634 -0.712 . . . . 75.41 109.866 -177.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.58 -35.0 79.05 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-N 115.883 -0.599 . . . . 73.51 111.012 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.2 m -55.17 -40.51 70.74 Favored 'General case' 0 C--O 1.207 -1.173 0 C-N-CA 123.288 0.635 . . . . 75.44 111.351 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -62.45 -35.14 78.36 Favored 'General case' 0 CA--C 1.49 -1.334 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.544 -178.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.98 -35.79 69.61 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-O 121.596 0.712 . . . . 74.1 111.609 -175.765 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.2 t -65.86 -43.83 92.97 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.314 0 N-CA-C 105.858 -1.904 . . . . 75.54 105.858 177.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.2 mt -64.57 -39.27 93.43 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 115.752 -0.658 . . . . 73.21 112.096 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 66.6 m -58.68 -46.29 87.56 Favored 'General case' 0 C--O 1.214 -0.767 0 N-CA-C 112.434 0.531 . . . . 63.13 112.434 176.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.69 -36.63 78.74 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.343 -0.848 . . . . 71.14 110.712 -179.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mp -70.49 -30.47 67.27 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.95 -0.389 . . . . 73.33 109.95 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -63.3 -46.21 87.78 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 106.415 -1.698 . . . . 74.34 106.415 174.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.25 92.15 Favored 'General case' 0 N--CA 1.435 -1.175 0 N-CA-C 116.009 1.855 . . . . 71.44 116.009 -178.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -73.35 -27.47 61.51 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 120.725 -1.234 . . . . 73.51 111.794 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.7 mm -87.58 -37.95 11.43 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.844 0 N-CA-C 113.284 0.846 . . . . 73.23 113.284 -178.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.1 mt -84.07 -23.91 30.62 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.044 -1.095 . . . . 74.03 108.044 -177.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.91 19.78 77.07 Favored Glycine 0 C--O 1.241 0.539 0 CA-C-O 118.701 -1.055 . . . . 73.13 112.49 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.5 m -90.98 162.77 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.713 0 CA-C-N 117.721 0.76 . . . . 75.3 109.648 -177.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.26 -26.38 39.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.266 0.555 . . . . 75.52 112.475 -174.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -148.76 155.06 40.44 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 113.124 0.787 . . . . 74.33 113.124 -176.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.9 t -138.79 130.2 35.77 Favored 'Isoleucine or valine' 0 C--O 1.258 1.548 0 O-C-N 123.903 0.752 . . . . 71.53 109.896 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.12 164.86 34.0 Favored Glycine 0 CA--C 1.541 1.664 0 C-N-CA 120.798 -0.715 . . . . 74.41 111.429 172.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -70.15 -18.25 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 O-C-N 121.046 -1.267 . . . . 72.5 110.877 177.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -114.13 17.08 17.94 Favored 'General case' 0 C--O 1.206 -1.206 0 N-CA-C 109.117 -0.698 . . . . 41.04 109.117 -174.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.89 126.36 33.42 Favored 'General case' 0 C--O 1.244 0.767 0 C-N-CA 120.176 -0.61 . . . . 65.54 111.23 -175.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.12 134.76 36.72 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-O 122.225 1.012 . . . . 71.0 109.12 -177.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -56.46 -38.53 71.78 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 115.799 -0.637 . . . . 75.24 111.751 -178.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -79.79 -18.94 49.75 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.756 1.021 . . . . 74.31 113.756 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 37.7 t0 -75.92 -34.81 59.92 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 107.104 -1.443 . . . . 71.54 107.104 -178.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.4 mt -79.75 20.62 0.58 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.559 -1.2 . . . . 74.04 113.466 174.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.29 6.9 68.15 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 114.524 0.57 . . . . 65.25 114.524 175.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.45 169.55 54.09 Favored Glycine 0 C--O 1.214 -1.149 0 C-N-CA 120.079 -1.057 . . . . 60.14 114.56 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 88.3 p -144.86 166.3 25.66 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.587 -0.523 . . . . 74.31 109.587 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.7 m -59.97 -32.0 70.41 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.983 0.734 . . . . 73.11 112.983 177.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.89 -42.46 66.76 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 123.673 0.608 . . . . 45.35 110.532 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.2 tp -66.22 -32.05 73.25 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 121.676 0.751 . . . . 75.53 109.994 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.97 -29.05 66.9 Favored 'General case' 0 C--O 1.191 -1.986 0 CA-C-O 121.456 0.646 . . . . 75.14 111.167 -178.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 59.9 mtt -64.79 -28.24 69.43 Favored 'General case' 0 C--O 1.212 -0.914 0 O-C-N 121.729 -0.607 . . . . 75.13 111.356 178.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -76.08 -37.94 57.62 Favored 'General case' 0 C--O 1.249 1.031 0 N-CA-C 108.458 -0.942 . . . . 70.31 108.458 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 34.8 tp -61.58 -46.94 87.76 Favored 'General case' 0 C--O 1.225 -0.185 0 O-C-N 123.921 0.763 . . . . 65.31 109.146 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 74.6 mt -59.94 -37.97 74.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-O 121.11 0.481 . . . . 73.45 109.919 -179.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.81 -42.91 94.51 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.445 -0.784 . . . . 73.3 111.382 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -68.77 -32.08 71.58 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 114.341 1.237 . . . . 72.41 114.341 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.9 mt -60.51 -33.62 55.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 N-CA-C 109.021 -0.733 . . . . 71.45 109.021 178.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -64.77 -33.09 75.16 Favored 'General case' 0 C--O 1.204 -1.318 0 O-C-N 121.301 -0.874 . . . . 74.01 112.354 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -80.37 -35.98 34.61 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 107.96 -1.126 . . . . 72.41 107.96 -175.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -84.63 -47.61 10.33 Favored 'General case' 0 C--O 1.204 -1.313 0 CA-C-N 115.233 -0.894 . . . . 71.22 111.941 -173.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 65.1 mt -106.9 -1.93 21.84 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 118.577 0.626 . . . . 75.34 110.902 -171.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.71 24.34 74.07 Favored Glycine 0 CA--C 1.502 -0.769 0 CA-C-N 115.309 -0.86 . . . . 74.3 113.234 176.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.5 m -139.18 146.31 26.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 117.976 0.888 . . . . 75.52 112.044 -177.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -86.58 89.01 7.77 Favored 'General case' 0 C--O 1.251 1.133 0 CA-C-O 121.709 0.766 . . . . 71.42 109.049 176.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.95 124.05 85.52 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-N 114.859 -1.064 . . . . 74.13 110.672 -174.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -62.75 132.76 38.83 Favored 'Trans proline' 0 C--O 1.218 -0.49 0 C-N-CA 120.889 1.06 . . . . 73.4 113.884 -178.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.2 tt -63.28 -21.64 28.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-O 121.727 0.775 . . . . 71.45 109.887 175.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -63.27 -33.47 75.58 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 118.708 -0.663 . . . . 74.34 111.826 174.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -73.73 -39.16 64.48 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-N 118.234 0.47 . . . . 74.54 111.166 177.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.77 -40.25 94.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.078 0.466 . . . . 74.14 112.041 176.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -75.25 -20.7 59.05 Favored 'General case' 0 C--O 1.214 -0.796 0 C-N-CA 119.376 -0.929 . . . . 75.04 110.637 178.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.4 t -73.91 -34.73 64.49 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.853 -1.165 . . . . 61.23 107.853 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.3 t -156.35 110.35 2.05 Favored Pre-proline 0 C--N 1.318 -0.765 0 N-CA-C 108.154 -1.054 . . . . 71.33 108.154 178.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -83.26 0.94 9.32 Favored 'Trans proline' 0 C--O 1.216 -0.575 0 N-CA-C 117.478 2.069 . . . . 72.43 117.478 -174.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 71.6 p -92.17 155.65 42.63 Favored Pre-proline 0 C--N 1.316 -0.855 0 CA-C-N 118.527 0.603 . . . . 72.11 109.739 -177.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.61 -32.29 24.61 Favored 'Trans proline' 0 C--O 1.248 0.997 0 C-N-CA 115.81 -2.327 . . . . 54.35 112.812 -174.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.86 -31.03 51.21 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-O 122.065 0.936 . . . . 63.52 109.054 177.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -71.42 -40.63 59.85 Favored Glycine 0 C--O 1.25 1.096 0 C-N-CA 120.879 -0.677 . . . . 63.44 113.938 -177.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.6 p -68.31 -31.08 49.96 Favored 'Isoleucine or valine' 0 C--O 1.25 1.107 0 N-CA-C 109.083 -0.71 . . . . 64.23 109.083 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.18 96.43 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.302 0.572 . . . . 74.24 110.537 176.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.3 mtp-105 -72.57 -35.95 68.08 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 121.172 -0.955 . . . . 75.45 111.478 177.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.3 -42.81 99.08 Favored 'General case' 0 C--N 1.333 -0.115 0 N-CA-C 112.865 0.691 . . . . 65.22 112.865 -178.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 pp -73.63 -32.8 64.24 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.01 -0.737 . . . . 74.52 109.01 -178.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.05 -34.51 78.25 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 117.978 0.354 . . . . 74.04 110.664 177.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.66 -25.8 68.38 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-O 120.888 0.375 . . . . 64.35 111.983 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -66.61 -28.87 68.84 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.988 -0.445 . . . . 75.25 110.435 -178.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.3 m -66.01 -30.52 71.07 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.172 0.434 . . . . 71.41 112.172 -177.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.8 -19.53 65.76 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.055 0.455 . . . . 64.44 111.589 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.2 t -105.58 16.37 25.54 Favored 'General case' 0 C--O 1.248 0.997 0 CA-C-N 116.199 -0.455 . . . . 64.14 109.93 -177.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -136.67 148.17 47.24 Favored 'General case' 0 C--O 1.207 -1.146 0 CA-C-O 121.014 0.435 . . . . 74.34 111.28 -174.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.9 p -75.51 135.5 40.63 Favored 'General case' 0 C--O 1.249 1.051 0 CA-C-N 116.133 -0.485 . . . . 72.13 110.126 177.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 50.8 m170 -78.34 151.86 78.3 Favored Pre-proline 0 N--CA 1.44 -0.962 0 N-CA-C 108.079 -1.082 . . . . 74.11 108.079 177.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -76.97 -6.81 17.02 Favored 'Trans proline' 0 CA--C 1.534 0.475 0 N-CA-C 114.285 0.84 . . . . 71.43 114.285 -175.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -135.89 143.95 45.29 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 104.571 -2.381 . . . . 72.32 104.571 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -73.5 151.61 40.97 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 108.993 -0.743 . . . . 62.52 108.993 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -71.98 -24.22 61.55 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.822 -0.627 . . . . 64.1 111.535 -176.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? . . . . . 0 C--O 1.241 0.628 0 N-CA-C 105.062 -2.199 . . . . 73.31 105.062 -177.74 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 CA-C-O 118.446 -1.197 . . . . 54.54 111.075 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.31 150.15 49.41 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.864 -1.162 . . . . 54.24 107.864 176.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.9 tpt -76.83 135.67 38.91 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.096 -0.705 . . . . 74.13 109.096 179.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.42 153.55 39.16 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.73 -0.47 . . . . 75.25 109.73 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.1 mmtm -66.24 146.06 55.05 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.228 -1.027 . . . . 70.42 108.228 174.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.49 150.37 95.63 Favored Pre-proline 0 CA--C 1.539 0.549 0 N-CA-C 105.736 -1.949 . . . . 65.12 105.736 174.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -65.53 137.19 49.54 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 116.911 -1.593 . . . . 71.11 112.676 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -79.16 154.12 29.53 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 115.56 1.689 . . . . 74.51 115.56 -171.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.3 t -102.35 152.67 20.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.221 -0.9 . . . . 74.33 109.776 174.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.52 -29.29 69.91 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.181 0.515 . . . . 44.51 111.155 177.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 m -56.5 -36.7 69.45 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 121.252 0.548 . . . . 65.15 111.232 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -59.18 -36.89 76.12 Favored 'General case' 0 C--O 1.192 -1.969 0 CA-C-N 115.896 -0.593 . . . . 64.52 112.019 -177.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.1 mmtt -74.22 -31.74 62.73 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 112.421 0.526 . . . . 73.24 112.421 -170.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.5 t -68.26 -47.21 79.05 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 N-CA-C 107.118 -1.438 . . . . 73.01 107.118 174.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.6 mt -60.84 -38.52 85.8 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 112.341 0.497 . . . . 74.13 112.341 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.5 m -58.41 -46.03 87.25 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.258 -0.276 . . . . 74.13 111.323 175.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.65 -37.64 85.22 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.234 -0.917 . . . . 61.23 110.516 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mp -62.98 -35.94 81.86 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.644 -0.707 . . . . 72.42 109.878 178.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -61.05 -43.95 98.12 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 107.775 -1.195 . . . . 74.21 107.775 178.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.0 93.68 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 113.915 1.08 . . . . 53.13 113.915 -176.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -62.61 -35.57 79.98 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-O 121.868 0.842 . . . . 73.41 112.194 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.8 mm -86.97 -38.01 11.79 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 CA-C-N 115.052 -0.976 . . . . 75.43 112.975 -175.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.6 mt -88.36 -26.47 22.19 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 113.54 0.941 . . . . 73.4 113.54 -176.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.57 31.33 41.27 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.838 -0.696 . . . . 73.11 113.121 -178.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 m -106.48 151.87 8.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 109.215 -0.661 . . . . 73.33 109.215 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -70.8 -37.01 73.25 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.945 1.461 . . . . 74.32 114.945 -175.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.2 mtt-85 -135.79 155.87 49.68 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 115.672 -0.695 . . . . 74.24 109.621 -176.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.7 t -134.18 131.15 55.23 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.9 0 O-C-N 124.478 1.111 . . . . 74.33 109.443 178.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.505 ' H ' ' CG ' ' A' ' 32' ' ' ASP . . . -91.73 169.85 33.0 Favored Glycine 0 CA--C 1.528 0.86 0 N-CA-C 110.269 -1.132 . . . . 64.4 110.269 176.072 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -21.02 17.41 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.545 0 CA-C-O 121.772 0.796 . . . . 74.04 110.117 178.059 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -101.7 10.55 39.96 Favored 'General case' 0 C--O 1.206 -1.186 0 CA-C-N 114.207 -1.361 . . . . 74.13 112.584 -175.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.505 ' CG ' ' H ' ' A' ' 29' ' ' GLY . 2.7 m-20 -69.81 118.44 12.67 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.805 -0.56 . . . . 61.3 111.239 -170.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.03 115.09 21.7 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 108.019 -1.104 . . . . 64.15 108.019 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -48.74 -43.61 37.68 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 113.532 0.938 . . . . 72.24 113.532 -173.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -74.18 -20.74 60.1 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 114.144 1.165 . . . . 64.14 114.144 -177.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -78.14 -29.46 48.8 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.692 0.758 . . . . 74.32 109.044 -178.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 mt -81.35 18.56 1.11 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.289 -0.869 . . . . 75.43 110.993 177.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.78 7.48 81.26 Favored Glycine 0 CA--C 1.516 0.129 0 C-N-CA 121.363 -0.446 . . . . 73.3 113.013 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.98 145.38 47.89 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-O 121.925 0.736 . . . . 63.21 112.377 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.0 p -128.22 168.91 14.79 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.726 -0.842 . . . . 75.23 108.726 -178.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.2 p -61.41 -32.8 72.76 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.067 -0.346 . . . . 71.23 110.067 177.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.53 -43.41 85.26 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 120.848 0.356 . . . . 73.34 110.505 177.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.4 mt -68.51 -32.0 71.65 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 122.294 -0.254 . . . . 71.43 110.488 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.66 -34.12 75.17 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-O 121.517 0.675 . . . . 61.32 111.237 177.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 67.1 mtm -65.22 -35.54 81.38 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 120.705 -1.247 . . . . 73.33 110.723 175.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -74.13 -31.91 62.94 Favored 'General case' 0 C--O 1.207 -1.132 0 O-C-N 121.304 -0.873 . . . . 71.5 109.47 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.3 tp -63.37 -48.1 79.34 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 107.427 -1.323 . . . . 64.25 107.427 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.6 mt -60.17 -38.19 76.18 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.798 0 CA-C-N 115.622 -0.717 . . . . 62.02 109.688 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.81 -40.95 98.96 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 120.148 -0.621 . . . . 72.13 110.348 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.25 -39.12 92.24 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.151 0.426 . . . . 74.43 112.151 178.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.8 mt -59.03 -33.77 51.15 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.146 0 N-CA-C 113.195 0.813 . . . . 74.43 113.195 177.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -61.26 -32.28 72.09 Favored 'General case' 0 C--O 1.206 -1.186 0 O-C-N 120.456 -1.403 . . . . 74.32 111.481 -178.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -80.06 -33.98 38.52 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-O 123.264 1.507 . . . . 73.51 107.733 -171.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -96.29 -43.53 7.65 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 113.415 -1.72 . . . . 74.13 112.956 -169.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.6 mt -102.57 -9.26 20.3 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.009 -1.057 . . . . 74.42 110.515 -177.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.79 17.7 79.61 Favored Glycine 0 C--N 1.354 1.559 0 CA-C-N 114.953 -1.021 . . . . 61.53 115.515 176.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.9 m -144.15 153.46 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 117.469 0.635 . . . . 72.22 111.452 -177.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -86.03 103.4 14.68 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.222 -1.029 . . . . 74.42 108.222 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.91 127.34 89.0 Favored Pre-proline 0 C--N 1.324 -0.543 0 C-N-CA 120.23 -0.588 . . . . 74.0 109.595 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -64.19 128.89 22.7 Favored 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 118.479 -0.547 . . . . 74.44 110.874 176.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.0 tt -59.58 -23.53 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 CA-C-O 121.768 0.794 . . . . 70.24 110.15 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -58.65 -31.75 68.43 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.425 -0.807 . . . . 75.22 112.126 175.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -75.02 -39.75 60.94 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.167 -1.049 . . . . 74.23 108.167 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.96 -37.98 89.44 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-O 121.023 0.44 . . . . 74.22 110.893 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -71.25 -28.63 64.31 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.378 -0.529 . . . . 75.3 111.2 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.0 t -78.59 -28.47 45.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.128 0.49 . . . . 73.04 110.791 178.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.0 m -152.26 99.66 2.85 Favored Pre-proline 0 C--N 1.328 -0.353 0 N-CA-C 108.497 -0.927 . . . . 64.3 108.497 -177.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -79.98 8.9 3.8 Favored 'Trans proline' 0 C--N 1.345 0.359 0 N-CA-C 115.688 1.38 . . . . 74.45 115.688 -176.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 71.8 p -105.1 151.81 39.58 Favored Pre-proline 0 CA--C 1.511 -0.535 0 CA-C-N 118.126 0.421 . . . . 72.32 110.925 -178.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -67.9 -32.82 28.13 Favored 'Trans proline' 0 C--O 1.248 0.996 0 C-N-CA 116.652 -1.765 . . . . 73.23 113.139 -176.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.61 -31.46 47.05 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 118.71 -1.196 . . . . 73.22 110.783 177.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -71.22 -42.93 56.89 Favored Glycine 0 CA--C 1.496 -1.096 0 C-N-CA 118.843 -1.646 . . . . 51.32 111.064 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.8 p -65.09 -36.04 76.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 C-N-CA 120.336 -0.546 . . . . 51.13 110.15 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.8 97.64 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 123.006 0.523 . . . . 70.31 110.719 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.1 mtp85 -75.42 -34.61 61.03 Favored 'General case' 0 C--N 1.315 -0.902 0 O-C-N 122.075 -0.391 . . . . 73.12 110.796 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.26 -49.25 70.3 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 111.745 0.276 . . . . 65.41 111.745 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 pp -65.25 -33.68 76.55 Favored 'General case' 0 CA--C 1.507 -0.696 0 C-N-CA 120.825 -0.35 . . . . 73.41 111.898 177.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.95 -42.75 99.91 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.245 0.545 . . . . 51.22 109.631 177.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.13 -40.98 77.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.928 -0.482 . . . . 74.22 110.178 178.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.29 -35.55 81.23 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.278 0.473 . . . . 60.52 112.278 -178.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.1 p -83.95 -8.87 59.06 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.684 0.278 . . . . 64.44 111.707 -178.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.6 104.47 13.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.891 0.377 . . . . 72.24 110.245 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.4 m -66.78 -8.95 32.07 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 121.214 0.531 . . . . 73.34 112.319 176.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 85.5 m95 -82.34 -12.26 58.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.245 -0.434 . . . . 72.12 111.879 177.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 75.7 p -119.77 -45.11 2.5 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.658 0.266 . . . . 75.11 111.02 178.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -93.32 151.83 40.63 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 110.306 -0.257 . . . . 75.32 110.306 175.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -67.22 162.92 36.38 Favored 'Trans proline' 0 C--O 1.238 0.521 0 C-N-CA 117.123 -1.451 . . . . 73.3 110.43 174.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -54.7 128.18 31.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.931 0.872 . . . . 74.32 110.707 -177.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -104.76 155.28 19.03 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.317 -1.31 . . . . 71.34 109.385 -175.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -145.84 -33.84 0.33 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.831 -0.622 . . . . 72.04 110.164 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm . . . . . 0 C--O 1.247 0.932 0 N-CA-C 107.222 -1.399 . . . . 65.23 107.222 177.652 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.116 0 CA-C-O 118.147 -1.363 . . . . 73.05 110.302 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.31 153.2 43.3 Favored 'General case' 0 C--O 1.242 0.692 0 N-CA-C 107.322 -1.362 . . . . 75.24 107.322 176.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -76.21 160.47 29.66 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-O 120.691 0.282 . . . . 75.43 110.822 -177.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.25 153.95 40.4 Favored 'General case' 0 C--O 1.245 0.864 0 N-CA-C 109.218 -0.66 . . . . 74.02 109.218 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -88.03 155.17 19.95 Favored 'General case' 0 N--CA 1.435 -1.218 0 N-CA-C 106.78 -1.563 . . . . 74.43 106.78 176.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.3 150.1 80.91 Favored Pre-proline 0 C--N 1.313 -0.982 0 N-CA-C 108.223 -1.029 . . . . 75.05 108.223 177.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -71.74 149.08 53.87 Favored 'Trans proline' 0 CA--C 1.515 -0.447 0 C-N-CA 115.301 -2.666 . . . . 71.34 114.088 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -102.69 146.19 28.57 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 108.174 -1.047 . . . . 63.43 108.174 178.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.9 p -81.23 161.2 24.06 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.281 -1.007 . . . . 75.31 108.281 172.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.31 -34.44 75.24 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 109.249 -0.648 . . . . 72.42 109.249 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m -59.57 -41.76 90.91 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-N 115.537 -0.756 . . . . 75.32 112.381 -179.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -60.09 -40.27 89.0 Favored 'General case' 0 CA--C 1.492 -1.262 0 CA-C-N 116.297 -0.41 . . . . 62.21 110.391 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -66.3 -39.62 89.47 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 120.179 -0.608 . . . . 74.54 111.277 -175.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.2 t -67.65 -52.75 37.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-O 121.495 0.664 . . . . 73.31 110.898 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 pp -72.58 -26.21 61.63 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 119.318 -0.953 . . . . 75.45 112.483 -175.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.7 t -67.12 -41.57 85.95 Favored 'General case' 0 C--O 1.194 -1.867 0 N-CA-C 109.83 -0.433 . . . . 74.43 109.83 175.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.57 84.11 Favored 'General case' 0 C--O 1.25 1.088 0 N-CA-C 108.269 -1.012 . . . . 64.34 108.269 178.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tp -68.54 -29.36 67.92 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.359 -0.837 . . . . 73.53 111.407 -178.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -60.75 -44.2 97.01 Favored 'General case' 0 C--O 1.211 -0.956 0 N-CA-C 107.377 -1.342 . . . . 72.23 107.377 175.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.09 91.38 Favored 'General case' 0 N--CA 1.427 -1.585 0 N-CA-C 112.352 0.501 . . . . 74.23 112.352 -175.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -78.73 -28.29 44.94 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 114.455 1.28 . . . . 73.41 114.455 -177.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.4 mm -82.26 -33.09 11.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 CA-C-O 121.458 0.646 . . . . 74.14 111.362 -178.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.2 mt -89.08 -26.37 21.41 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 115.335 -0.848 . . . . 72.51 109.774 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.13 28.58 58.12 Favored Glycine 0 C--O 1.24 0.482 0 CA-C-O 119.642 -0.532 . . . . 73.14 113.268 179.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.2 m -101.04 158.55 4.06 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.501 0 N-CA-C 112.768 0.655 . . . . 74.01 112.768 -176.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.6 -36.66 84.39 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.948 0.88 . . . . 64.53 112.495 -175.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -146.56 157.42 43.73 Favored 'General case' 0 C--O 1.255 1.391 0 C-N-CA 123.734 0.813 . . . . 71.34 109.19 -176.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 p -147.64 137.54 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.31 0 N-CA-C 103.621 -2.733 . . . . 75.22 103.621 171.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.54 ' H ' ' HB2' ' A' ' 32' ' ' ASP . . . -104.19 169.02 17.15 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 108.124 -1.99 . . . . 75.53 108.124 178.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.423 ' HA ' ' HG2' ' A' ' 70' ' ' PRO . 0.1 OUTLIER -67.84 -21.48 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 CA-C-N 117.552 0.676 . . . . 74.2 110.131 178.7 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -105.64 12.31 31.27 Favored 'General case' 0 C--O 1.196 -1.754 0 CA-C-O 121.912 0.863 . . . . 73.11 111.441 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.54 ' HB2' ' H ' ' A' ' 29' ' ' GLY . 3.4 t0 -88.2 139.07 30.88 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.859 -1.151 . . . . 65.15 112.484 -173.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.79 134.18 34.32 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 120.452 -1.405 . . . . 72.51 110.311 -173.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -55.02 -33.97 63.1 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-N 116.07 -0.513 . . . . 75.04 111.052 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -85.99 -16.22 39.0 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 114.903 1.445 . . . . 72.13 114.903 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -76.57 -34.92 58.45 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 106.066 -1.827 . . . . 70.44 106.066 178.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.8 mt -78.09 15.45 0.91 Allowed 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 113.926 -1.488 . . . . 74.24 113.104 178.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.82 22.3 66.68 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 115.164 0.825 . . . . 71.03 115.164 176.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.87 157.25 42.66 Favored Glycine 0 C--O 1.212 -1.24 0 N-CA-C 116.721 1.448 . . . . 54.31 116.721 -178.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.9 m -132.07 160.97 34.38 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 122.97 0.508 . . . . 72.24 111.618 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.5 p -60.91 -35.09 75.78 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 121.87 -0.518 . . . . 74.01 112.322 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.73 -39.46 93.67 Favored 'General case' 0 C--O 1.244 0.782 0 O-C-N 123.256 0.348 . . . . 62.23 110.535 177.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.9 mt -73.28 -27.66 61.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.858 -0.61 . . . . 73.41 110.24 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.99 97.71 Favored 'General case' 0 C--O 1.194 -1.831 0 O-C-N 121.224 -0.922 . . . . 63.03 109.909 176.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 15.1 mmt -65.8 -34.38 78.03 Favored 'General case' 0 C--O 1.19 -2.039 0 O-C-N 121.71 -0.619 . . . . 71.44 110.635 177.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -40.64 77.97 Favored 'General case' 0 C--O 1.27 2.168 0 N-CA-C 112.838 0.681 . . . . 72.21 112.838 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 36.9 tp -60.82 -49.0 79.24 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.813 0.845 . . . . 75.24 109.487 173.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 67.7 mt -59.02 -41.35 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-O 121.319 0.58 . . . . 73.43 109.793 -179.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.55 -37.03 85.54 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.59 -0.694 . . . . 73.0 112.558 178.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.9 tpt85 -68.96 -35.02 76.27 Favored 'General case' 0 C--O 1.183 -2.437 0 CA-C-O 120.861 0.362 . . . . 74.32 110.225 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.8 mt -62.08 -27.64 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.403 -2.784 0 CA-C-O 121.753 0.787 . . . . 74.22 109.645 -176.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -68.54 -30.63 69.47 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.848 -0.615 . . . . 74.1 111.421 179.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -79.05 -34.45 43.75 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.043 -1.095 . . . . 61.41 108.043 -178.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -82.69 -48.96 10.29 Favored 'General case' 0 C--O 1.208 -1.112 0 N-CA-C 114.515 1.302 . . . . 75.41 114.515 -176.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.3 mt -110.59 -4.79 15.27 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.711 0.634 . . . . 61.04 112.711 -170.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.93 25.7 73.2 Favored Glycine 0 CA--C 1.502 -0.755 0 CA-C-N 114.901 -1.045 . . . . 71.25 113.503 178.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.4 m -140.51 156.39 23.62 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.354 0 O-C-N 121.783 -0.834 . . . . 73.14 109.306 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -92.54 111.38 22.95 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 109.454 -0.573 . . . . 74.2 109.454 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.1 tp -65.95 120.28 67.95 Favored Pre-proline 0 CA--C 1.543 0.711 0 N-CA-C 109.489 -0.56 . . . . 75.32 109.489 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.79 124.09 13.05 Favored 'Trans proline' 0 CA--C 1.518 -0.304 0 N-CA-C 110.583 -0.583 . . . . 64.34 110.583 176.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.9 tt -60.85 -23.18 28.58 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.95 0 CA-C-O 121.405 0.621 . . . . 71.32 111.509 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -35.73 81.83 Favored 'General case' 0 C--O 1.198 -1.607 0 O-C-N 121.445 -0.784 . . . . 73.14 111.203 177.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -70.07 -39.43 75.65 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 121.474 0.654 . . . . 74.43 109.598 179.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.2 tp -63.43 -41.99 98.68 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.604 -0.726 . . . . 72.2 111.568 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -71.22 -30.07 65.91 Favored 'General case' 0 C--O 1.202 -1.426 0 C-N-CA 119.846 -0.742 . . . . 74.21 110.79 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.3 t -74.83 -25.53 59.07 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 122.147 -0.346 . . . . 74.05 110.793 -177.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.1 m -152.32 92.24 3.51 Favored Pre-proline 0 C--N 1.31 -1.112 0 N-CA-C 106.976 -1.49 . . . . 75.4 106.976 -178.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -76.94 3.97 6.14 Favored 'Trans proline' 0 C--O 1.216 -0.581 0 N-CA-C 115.829 1.434 . . . . 71.04 115.829 -178.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.9 p -93.92 150.11 38.04 Favored Pre-proline 0 C--O 1.242 0.691 0 N-CA-C 108.394 -0.965 . . . . 71.44 108.394 178.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.423 ' HG2' ' HA ' ' A' ' 30' ' ' VAL . 63.4 Cg_endo -65.83 -34.78 38.58 Favored 'Trans proline' 0 C--O 1.248 1.023 0 C-N-CA 116.795 -1.67 . . . . 73.01 113.577 -175.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.39 -26.26 59.99 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.959 0.885 . . . . 75.31 110.93 178.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -75.03 -47.99 12.25 Favored Glycine 0 N--CA 1.438 -1.2 0 CA-C-O 118.713 -1.048 . . . . 73.52 112.32 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.6 p -66.18 -32.66 59.11 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.574 0 CA-C-N 117.945 0.872 . . . . 74.12 110.271 -178.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.69 -48.42 79.35 Favored 'General case' 0 C--O 1.204 -1.296 0 N-CA-C 113.837 1.051 . . . . 53.21 113.837 176.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.9 ptp180 -73.08 -31.3 64.29 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 119.651 -0.82 . . . . 64.22 109.778 -177.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.89 -46.08 89.52 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 112.662 0.616 . . . . 71.33 112.662 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 pp -75.04 -31.19 61.24 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.045 -0.525 . . . . 72.24 110.045 179.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.05 -27.59 67.52 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 111.65 0.241 . . . . 63.24 111.65 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.7 -24.37 67.62 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-O 120.957 0.408 . . . . 75.04 111.882 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.9 pttp -70.85 -9.95 58.61 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 112.347 0.499 . . . . 72.54 112.347 -177.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.5 m -81.07 -9.23 59.85 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 111.631 0.234 . . . . 74.2 111.631 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.57 147.03 53.84 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 120.496 0.188 . . . . 70.41 111.043 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 65.4 p -70.71 -12.72 61.73 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.503 0.668 . . . . 74.01 112.419 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 48.5 p90 -110.51 17.53 20.67 Favored 'General case' 0 CA--C 1.509 -0.606 0 O-C-N 121.994 -0.441 . . . . 63.54 111.403 177.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.8 t -68.53 148.89 49.91 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.753 -0.462 . . . . 74.24 109.753 177.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 32.8 p80 -63.99 154.65 81.12 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 107.215 -1.402 . . . . 73.44 107.215 173.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -69.38 149.26 69.07 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 117.731 -1.046 . . . . 73.11 111.039 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -75.75 118.57 18.71 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 107.206 -1.405 . . . . 74.02 107.206 175.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -78.12 124.05 27.6 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 106.723 -1.584 . . . . 74.5 106.723 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -124.19 163.28 21.89 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 113.033 0.753 . . . . 75.12 113.033 -172.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? . . . . . 0 CA--C 1.508 -0.658 0 N-CA-C 102.758 -3.053 . . . . 73.43 102.758 177.116 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.78 0 CA-C-O 118.099 -1.389 . . . . 55.1 110.977 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.71 149.96 46.42 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 106.489 -1.671 . . . . 74.24 106.489 175.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.0 ptp -73.95 152.61 40.06 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 110.026 -0.361 . . . . 73.52 110.026 -177.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.36 152.51 45.57 Favored 'General case' 0 C--O 1.255 1.39 0 N-CA-C 108.38 -0.97 . . . . 73.32 108.38 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 42.2 tttm -63.67 130.38 44.02 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 107.528 -1.286 . . . . 74.4 107.528 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.17 141.13 93.66 Favored Pre-proline 0 C--O 1.263 1.788 0 O-C-N 123.578 0.549 . . . . 70.54 111.621 -177.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -78.09 178.95 6.98 Favored 'Trans proline' 0 C--O 1.274 2.297 0 CA-C-O 123.455 1.356 . . . . 72.41 110.323 177.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -80.25 163.33 24.08 Favored 'General case' 0 C--N 1.309 -1.154 0 O-C-N 120.733 -1.229 . . . . 71.43 108.476 -176.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.7 t -156.54 175.96 13.34 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.118 -0.492 . . . . 75.01 110.755 177.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.51 -40.34 86.78 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 115.747 1.758 . . . . 74.52 115.747 -169.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.5 m -73.89 -40.33 63.27 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 122.596 1.189 . . . . 71.25 111.903 -174.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.2 mp0 -62.29 -39.66 93.7 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 114.685 -1.143 . . . . 64.24 112.154 -174.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -66.88 -32.29 73.46 Favored 'General case' 0 C--O 1.21 -0.992 0 N-CA-C 113.252 0.834 . . . . 74.14 113.252 -178.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.2 t -69.8 -42.94 80.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 107.03 -1.47 . . . . 74.21 107.03 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.6 mt -64.37 -39.35 93.71 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.446 -0.797 . . . . 75.42 111.636 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 47.5 m -62.09 -44.98 95.48 Favored 'General case' 0 C--O 1.209 -1.054 0 N-CA-C 111.796 0.295 . . . . 75.1 111.796 175.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.23 96.82 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 120.905 -1.122 . . . . 72.01 109.639 -178.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mp -65.45 -32.38 73.97 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-O 120.992 0.425 . . . . 73.42 111.12 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -63.52 -45.39 90.83 Favored 'General case' 0 C--O 1.203 -1.387 0 N-CA-C 108.348 -0.982 . . . . 73.13 108.348 174.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.52 -41.29 97.1 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 121.403 0.621 . . . . 62.52 112.66 -177.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.87 -42.21 97.59 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 123.131 0.572 . . . . 73.32 111.852 -177.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.8 mt -88.21 -35.74 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 120.531 -0.468 . . . . 74.13 111.917 -172.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.0 mt -83.97 -20.66 32.47 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 123.7 0.625 . . . . 71.11 110.337 -177.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.19 31.31 52.75 Favored Glycine 0 CA--C 1.498 -0.978 0 CA-C-O 119.283 -0.732 . . . . 71.23 113.929 176.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -110.43 153.46 12.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 CA-C-O 120.943 0.402 . . . . 65.4 110.308 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -71.38 -31.76 67.69 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 114.388 1.255 . . . . 65.04 114.388 -174.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -140.4 154.46 46.71 Favored 'General case' 0 CA--C 1.5 -0.978 0 N-CA-C 109.664 -0.495 . . . . 75.1 109.664 -177.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 56.4 t -134.01 126.36 50.05 Favored 'Isoleucine or valine' 0 C--O 1.245 0.839 0 O-C-N 124.865 1.353 . . . . 72.52 109.845 176.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.5 158.74 34.32 Favored Glycine 0 C--N 1.336 0.576 0 N-CA-C 110.499 -1.04 . . . . 75.24 110.499 174.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.4 m -65.68 -14.14 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 O-C-N 121.234 -1.156 . . . . 70.21 111.982 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -119.11 15.15 13.22 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 116.531 -0.304 . . . . 74.31 111.436 -175.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -74.01 126.72 31.11 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 119.516 -0.874 . . . . 75.22 110.54 -176.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.65 128.13 33.05 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 108.449 -0.945 . . . . 74.42 108.449 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -52.13 -38.86 58.86 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.776 -0.647 . . . . 75.02 112.429 -176.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -78.48 -15.94 58.07 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 115.85 1.796 . . . . 75.04 115.85 -178.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -79.8 -31.76 40.72 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 107.021 -1.474 . . . . 65.41 107.021 -179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 mp -84.62 21.14 1.57 Allowed 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 113.903 -1.498 . . . . 74.43 111.122 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.59 4.08 73.71 Favored Glycine 0 N--CA 1.459 0.17 0 N-CA-C 115.211 0.844 . . . . 75.15 115.211 178.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.22 157.0 53.52 Favored Glycine 0 C--O 1.251 1.171 0 CA-C-O 122.962 1.312 . . . . 61.11 115.085 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 75.9 p -142.76 174.86 10.28 Favored 'General case' 0 C--O 1.213 -0.832 0 N-CA-C 108.281 -1.007 . . . . 74.14 108.281 -176.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.7 p -65.24 -29.06 69.82 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 122.208 -0.307 . . . . 74.01 111.316 174.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.7 -40.27 69.62 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-O 121.12 0.486 . . . . 62.44 109.728 177.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.7 mt -74.91 -24.53 58.53 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 121.633 -0.667 . . . . 73.23 110.133 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.77 -30.88 71.91 Favored 'General case' 0 C--O 1.202 -1.399 0 O-C-N 121.341 -0.849 . . . . 74.31 109.683 175.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 60.5 mtt -68.6 -33.97 74.98 Favored 'General case' 0 C--O 1.219 -0.503 0 O-C-N 121.18 -0.95 . . . . 74.24 110.081 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -70.72 -40.9 72.54 Favored 'General case' 0 C--O 1.241 0.658 0 N-CA-C 108.356 -0.979 . . . . 73.33 108.356 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.4 tp -60.45 -50.09 74.96 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 124.101 0.875 . . . . 71.44 110.465 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.8 mt -60.96 -40.49 85.64 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.804 0 N-CA-C 109.709 -0.478 . . . . 71.11 109.709 -177.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.5 -41.18 96.59 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 122.357 -0.214 . . . . 73.54 111.224 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -66.59 -33.13 74.99 Favored 'General case' 0 C--O 1.189 -2.108 0 CA-C-O 121.444 0.64 . . . . 72.21 111.4 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.6 mt -65.23 -26.27 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.4 -2.965 0 CA-C-N 115.861 -0.609 . . . . 75.01 109.785 -175.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -67.71 -32.78 73.66 Favored 'General case' 0 C--O 1.205 -1.278 0 C-N-CA 119.87 -0.732 . . . . 73.35 111.387 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -74.13 -40.54 62.57 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 107.408 -1.331 . . . . 73.54 107.408 -176.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -83.37 -46.64 12.33 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 115.412 1.634 . . . . 61.22 115.412 -173.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.3 mt -105.57 -8.21 18.13 Favored 'General case' 0 CA--C 1.504 -0.803 0 O-C-N 121.404 -0.81 . . . . 72.5 111.415 -173.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.74 27.21 73.53 Favored Glycine 0 C--O 1.246 0.849 0 CA-C-O 118.349 -1.251 . . . . 73.2 112.609 178.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 33.6 m -141.02 157.25 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 CA-C-N 118.553 1.177 . . . . 44.52 111.719 -178.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -86.45 101.72 13.41 Favored 'General case' 0 C--O 1.218 -0.558 0 C-N-CA 123.735 0.814 . . . . 70.33 111.018 177.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -62.46 117.6 32.55 Favored Pre-proline 0 C--O 1.239 0.545 0 C-N-CA 120.726 -0.39 . . . . 74.44 110.463 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -65.67 117.53 4.7 Favored 'Trans proline' 0 C--N 1.35 0.616 0 N-CA-C 113.672 0.605 . . . . 75.12 113.672 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 17.8 tt -59.38 -26.84 35.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-O 121.598 0.713 . . . . 71.53 112.522 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -67.39 -33.72 75.78 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 121.513 -0.742 . . . . 74.44 111.07 176.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -39.03 63.57 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 108.458 -0.941 . . . . 74.13 108.458 177.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 27.2 tp -60.04 -44.2 94.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.847 -0.615 . . . . 75.33 110.756 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.1 m-30 -73.25 -26.68 61.21 Favored 'General case' 0 C--N 1.319 -0.725 0 O-C-N 121.684 -0.635 . . . . 72.32 111.793 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.6 m -74.98 -25.99 59.25 Favored 'General case' 0 N--CA 1.48 1.075 0 O-C-N 122.032 -0.418 . . . . 73.34 111.058 177.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.4 p -153.46 88.53 3.68 Favored Pre-proline 0 CA--C 1.547 0.854 0 N-CA-C 107.995 -1.113 . . . . 73.32 107.995 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -81.3 35.41 0.58 Allowed 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.604 2.203 . . . . 74.53 114.161 -174.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.4 p -120.39 153.76 56.2 Favored Pre-proline 0 N--CA 1.447 -0.588 0 N-CA-C 106.299 -1.741 . . . . 75.52 106.299 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.82 -38.3 10.31 Favored 'Trans proline' 0 C--O 1.213 -0.73 0 C-N-CA 115.86 -2.293 . . . . 72.14 113.829 -172.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.19 -21.42 42.99 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 120.88 -1.138 . . . . 64.24 111.45 177.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.69 -46.94 28.77 Favored Glycine 0 C--O 1.223 -0.545 0 C-N-CA 121.271 -0.49 . . . . 72.41 111.887 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.4 p -64.56 -36.26 76.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.193 -0.669 . . . . 73.52 109.193 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.53 -49.53 77.41 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 121.694 0.759 . . . . 65.52 111.851 179.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.3 mtt85 -69.42 -36.63 76.89 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 121.381 -0.824 . . . . 74.03 110.298 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.06 -33.6 75.86 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 113.0 0.741 . . . . 73.32 113.0 -176.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.0 pp -83.29 -37.78 23.02 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 123.529 0.518 . . . . 75.43 111.916 178.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.32 -35.0 74.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.117 0.484 . . . . 61.21 110.793 -178.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.75 -28.42 68.4 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 116.177 -0.465 . . . . 71.0 111.569 178.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -96.09 -13.36 23.71 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.518 0.933 . . . . 74.24 113.518 -175.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.9 p -99.14 -0.14 42.25 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 108.148 -1.056 . . . . 71.41 108.148 176.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.11 160.28 32.24 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.881 -0.785 . . . . 75.11 108.881 178.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.9 m -70.88 -13.43 62.03 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.543 0.572 . . . . 73.31 112.543 177.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -76.01 147.08 39.04 Favored 'General case' 0 C--O 1.208 -1.095 0 C-N-CA 122.769 0.427 . . . . 75.22 110.34 179.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.7 m -116.18 148.75 40.06 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-N 114.811 -1.086 . . . . 60.32 108.877 176.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -87.62 148.82 44.91 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 115.533 -0.758 . . . . 75.52 109.733 176.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -72.76 152.03 52.36 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 117.004 -1.531 . . . . 60.54 110.808 176.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -142.4 137.11 30.19 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 108.398 -0.964 . . . . 75.4 108.398 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -81.31 122.34 27.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.819 -0.628 . . . . 73.42 109.956 -178.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -75.96 134.53 40.17 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 107.657 -1.238 . . . . 54.33 107.657 176.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? . . . . . 0 C--O 1.253 1.269 0 CA-C-O 116.155 -1.879 . . . . 75.4 110.114 -177.587 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.518 4.163 0 CA-C-O 117.217 -1.88 . . . . 53.1 111.671 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.26 152.84 51.17 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 106.606 -1.627 . . . . 63.12 106.606 177.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -62.68 155.84 25.23 Favored 'General case' 0 C--O 1.208 -1.112 0 C-N-CA 124.652 1.181 . . . . 72.32 112.144 175.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.61 137.21 44.14 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-N 114.249 -1.341 . . . . 73.11 114.198 -175.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -72.79 133.0 44.31 Favored 'General case' 0 C--O 1.189 -2.1 0 N-CA-C 113.326 0.861 . . . . 74.42 113.326 175.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.23 152.57 87.99 Favored Pre-proline 0 C--N 1.308 -1.217 0 N-CA-C 107.024 -1.472 . . . . 73.13 107.024 176.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.5 141.79 35.45 Favored 'Trans proline' 0 C--O 1.204 -1.176 0 C-N-CA 117.333 -1.311 . . . . 71.2 110.122 -175.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -78.57 144.31 35.67 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.571 -0.706 . . . . 74.11 111.019 -179.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.3 m -83.53 159.86 21.59 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.241 0.543 . . . . 74.23 111.759 176.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.73 -38.39 78.27 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 113.167 0.802 . . . . 72.54 113.167 -173.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.45 -43.51 32.17 Favored 'General case' 0 C--O 1.217 -0.609 0 C-N-CA 123.479 0.712 . . . . 64.12 109.276 178.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -54.17 -46.94 72.47 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 112.97 0.73 . . . . 74.04 112.97 -176.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -68.8 -24.96 64.46 Favored 'General case' 0 C--O 1.27 2.154 0 N-CA-C 113.169 0.803 . . . . 74.44 113.169 -173.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.7 t -76.72 -49.17 24.47 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 N-CA-C 107.197 -1.408 . . . . 73.42 107.197 177.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.3 mt -58.15 -42.88 86.86 Favored 'General case' 0 C--O 1.214 -0.794 0 N-CA-C 108.4 -0.963 . . . . 73.41 108.4 -175.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -47.16 86.77 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.558 0.694 . . . . 75.2 112.637 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.91 -43.5 79.11 Favored 'General case' 0 C--O 1.201 -1.453 0 N-CA-C 108.11 -1.07 . . . . 73.11 108.11 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.36 -31.87 73.14 Favored 'General case' 0 CA--C 1.564 1.501 0 O-C-N 121.071 -1.018 . . . . 74.44 110.8 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -60.36 -45.53 93.14 Favored 'General case' 0 C--O 1.201 -1.495 0 N-CA-C 104.905 -2.257 . . . . 70.04 104.905 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.81 -47.22 85.54 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-O 119.208 -0.425 . . . . 65.22 111.256 -178.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -62.83 -35.11 78.86 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 123.347 1.546 . . . . 73.34 113.731 -174.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.9 mm -88.01 -40.14 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.053 0 CA-C-N 114.157 -1.383 . . . . 73.31 111.445 -175.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.0 mt -81.76 -24.35 36.09 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 124.605 1.191 . . . . 64.35 110.183 -178.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.49 29.04 60.44 Favored Glycine 0 C--O 1.217 -0.951 0 C-N-CA 120.205 -0.998 . . . . 75.33 112.543 176.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.9 m -101.19 154.98 4.62 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.156 0 CA-C-O 122.015 0.912 . . . . 75.35 111.044 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -68.52 -32.15 71.9 Favored 'General case' 0 N--CA 1.512 2.627 0 N-CA-C 113.05 0.759 . . . . 61.34 113.05 -172.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -150.38 156.79 42.16 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 109.014 -0.736 . . . . 73.15 109.014 -175.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.9 t -140.0 126.28 22.25 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.203 0 O-C-N 125.516 1.76 . . . . 73.43 111.887 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.49 164.89 30.8 Favored Glycine 0 CA--C 1.537 1.413 0 N-CA-C 108.127 -1.989 . . . . 71.42 108.127 178.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.7 m -62.01 -25.21 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 O-C-N 121.947 -0.737 . . . . 74.12 111.705 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -110.42 18.93 19.31 Favored 'General case' 0 C--O 1.197 -1.674 0 N-CA-C 114.843 1.423 . . . . 74.44 114.843 -178.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.52 134.33 35.2 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 119.399 -0.92 . . . . 72.44 108.999 -177.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.71 127.88 33.84 Favored 'General case' 0 CA--C 1.554 1.108 0 O-C-N 121.194 -0.941 . . . . 72.24 112.009 -176.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -53.53 -45.26 69.73 Favored 'General case' 0 C--N 1.311 -1.069 0 O-C-N 120.519 -1.363 . . . . 71.32 112.755 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -73.74 -22.6 59.83 Favored 'General case' 0 C--O 1.208 -1.088 0 N-CA-C 112.667 0.617 . . . . 74.24 112.667 -177.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -75.85 -28.63 58.3 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 123.779 1.752 . . . . 72.2 108.362 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 mp -87.77 12.6 12.49 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 113.501 -1.681 . . . . 72.15 112.712 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.4 26.31 16.09 Favored Glycine 0 N--CA 1.48 1.569 0 CA-C-O 123.516 1.62 . . . . 72.14 113.722 178.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -77.18 167.9 54.42 Favored Glycine 0 C--O 1.246 0.875 0 O-C-N 120.626 -1.514 . . . . 74.34 114.758 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.0 t -152.22 162.57 40.95 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 112.68 -1.76 . . . . 63.13 109.159 177.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.74 -29.5 64.59 Favored 'General case' 0 C--O 1.251 1.154 0 N-CA-C 112.804 0.668 . . . . 61.41 112.804 176.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.29 -40.32 81.81 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 122.477 1.132 . . . . 74.31 109.542 172.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.1 tp -71.28 -31.57 67.63 Favored 'General case' 0 C--N 1.31 -1.136 0 O-C-N 121.619 -0.676 . . . . 75.11 111.196 -177.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.0 -25.06 63.32 Favored 'General case' 0 CA--C 1.559 1.307 0 N-CA-C 113.005 0.743 . . . . 64.15 113.005 176.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 65.7 mtt -64.68 -33.83 76.88 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 122.784 1.278 . . . . 71.31 108.439 -178.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -71.11 -39.06 72.29 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-N 114.302 -1.317 . . . . 73.35 110.262 -178.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 32.8 tp -61.6 -48.72 79.66 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-N 115.363 -0.835 . . . . 75.24 109.113 175.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.2 mt -58.36 -37.8 65.68 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.866 0 N-CA-C 113.396 0.888 . . . . 72.23 113.396 177.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.78 -38.02 79.73 Favored 'General case' 0 C--O 1.211 -0.951 0 C-N-CA 120.412 -0.515 . . . . 75.15 110.653 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -70.68 -33.76 71.26 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 121.15 -0.22 . . . . 74.12 110.964 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 55.5 mt -60.69 -29.56 45.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 O-C-N 124.003 0.815 . . . . 75.32 113.151 174.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.3 mtt180 -64.78 -29.89 70.88 Favored 'General case' 0 C--O 1.204 -1.333 0 C-N-CA 118.84 -1.144 . . . . 73.41 111.983 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -79.64 -35.06 39.9 Favored 'General case' 0 C--O 1.196 -1.733 0 N-CA-C 108.055 -1.091 . . . . 73.53 108.055 -178.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -87.42 -44.54 11.27 Favored 'General case' 0 C--O 1.204 -1.295 0 N-CA-C 117.066 2.247 . . . . 71.32 117.066 -174.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.5 mt -107.77 -4.27 18.28 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 108.731 -0.84 . . . . 73.25 108.731 -174.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.56 28.86 73.59 Favored Glycine 0 C--N 1.295 -1.724 0 CA-C-N 113.242 -1.799 . . . . 72.41 115.968 175.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.6 m -149.98 159.0 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 N-CA-C 108.095 -1.076 . . . . 73.31 108.095 -178.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -83.05 115.0 21.67 Favored 'General case' 0 C--N 1.308 -1.204 0 O-C-N 123.552 0.532 . . . . 73.25 110.129 169.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -64.0 124.84 86.5 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 113.489 0.922 . . . . 75.15 113.489 -178.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -66.94 123.8 11.44 Favored 'Trans proline' 0 N--CA 1.484 0.966 0 C-N-CA 115.253 -2.698 . . . . 75.33 113.245 177.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.9 tt -64.55 -19.79 25.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 113.0 0.741 . . . . 72.55 113.0 -175.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -65.55 -41.69 92.7 Favored 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 120.353 -0.539 . . . . 72.35 109.982 178.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -67.19 -41.95 85.0 Favored 'General case' 0 CA--C 1.494 -1.203 0 CA-C-O 122.528 1.156 . . . . 72.31 110.598 -178.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.53 -50.26 74.24 Favored 'General case' 0 C--O 1.211 -0.973 0 CA-C-N 114.327 -1.306 . . . . 75.22 109.602 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -68.71 -34.43 75.63 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 119.91 -1.744 . . . . 75.24 110.135 -175.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.0 m -70.93 -21.55 62.35 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 113.475 0.917 . . . . 73.12 113.475 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.8 m -145.93 80.32 10.5 Favored Pre-proline 0 N--CA 1.481 1.08 0 N-CA-C 109.305 -0.628 . . . . 74.31 109.305 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -76.07 30.64 0.39 Allowed 'Trans proline' 0 C--O 1.253 1.268 0 N-CA-C 118.175 2.337 . . . . 71.14 118.175 -173.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.5 p -117.28 153.37 49.97 Favored Pre-proline 0 C--O 1.205 -1.282 0 N-CA-C 105.617 -1.994 . . . . 75.45 105.617 176.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -66.18 -33.69 39.17 Favored 'Trans proline' 0 CA--C 1.559 1.736 0 C-N-CA 116.354 -1.964 . . . . 75.1 114.697 -176.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.67 -25.19 49.36 Favored 'General case' 0 C--O 1.255 1.39 0 CA-C-O 122.454 1.121 . . . . 73.3 112.515 173.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.48 -45.23 91.03 Favored Glycine 0 C--O 1.219 -0.81 0 CA-C-N 113.024 -1.898 . . . . 72.44 109.16 176.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.8 t -58.19 -43.3 85.39 Favored 'Isoleucine or valine' 0 C--O 1.258 1.54 0 N-CA-C 108.926 -0.768 . . . . 74.34 108.926 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.82 -39.57 85.53 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.582 -0.735 . . . . 61.54 111.025 -175.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.3 mmm-85 -80.41 -41.37 24.68 Favored 'General case' 0 C--O 1.212 -0.913 0 CA-C-O 123.068 1.413 . . . . 74.22 110.465 -176.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.08 -39.9 87.67 Favored 'General case' 0 C--O 1.21 -1.014 0 CA-C-N 114.787 -1.097 . . . . 73.35 110.916 -177.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 pp -78.54 -27.86 46.0 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 119.601 -1.937 . . . . 72.21 109.441 177.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.82 -30.22 70.82 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 108.97 -0.752 . . . . 75.13 108.97 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.89 -20.81 64.15 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 115.062 -0.972 . . . . 73.01 111.552 175.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -77.93 -19.38 54.73 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.626 -0.879 . . . . 75.01 108.626 -179.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.5 t -100.31 -4.5 29.12 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 123.82 0.848 . . . . 74.12 109.707 -178.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.54 147.15 53.69 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 107.036 -1.468 . . . . 70.12 107.036 174.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.2 m -59.21 -34.86 72.66 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 114.224 -1.353 . . . . 74.44 110.602 175.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -107.45 58.52 0.62 Allowed 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 114.456 -1.247 . . . . 75.45 109.224 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 82.8 p -70.55 165.26 23.09 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.341 -0.543 . . . . 74.1 109.86 176.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -73.78 150.52 88.56 Favored Pre-proline 0 CA--C 1.569 1.688 0 CA-C-O 121.79 0.805 . . . . 70.34 111.559 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.33 166.73 28.82 Favored 'Trans proline' 0 C--N 1.378 2.128 0 C-N-CA 116.508 -1.861 . . . . 74.33 115.342 -173.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -126.18 152.68 45.69 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 123.908 0.883 . . . . 74.54 108.775 176.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -82.62 149.54 27.35 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 117.935 0.334 . . . . 75.42 111.295 175.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -86.32 143.74 27.72 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.83 0.852 . . . . 73.23 109.504 178.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? . . . . . 0 C--N 1.315 -0.928 0 N-CA-C 102.609 -3.108 . . . . 75.52 102.609 -177.457 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.463 0.219 0 CA-C-O 121.353 0.597 . . . . 0.0 112.053 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -58.57 -34.93 71.62 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.752 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -71.07 -38.78 72.47 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 119.418 -0.325 . . . . 0.0 111.152 -177.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.6 t -67.1 -43.95 88.4 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.861 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.7 mt -62.95 -41.35 99.49 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.415 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.0 m -57.3 -46.82 82.8 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.598 0.237 . . . . 0.0 111.043 174.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.41 -37.01 79.93 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 121.387 -0.82 . . . . 0.0 111.141 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 43.8 mt -66.24 -32.93 74.65 Favored 'General case' 0 C--O 1.214 -0.785 0 O-C-N 121.858 -0.526 . . . . 0.0 111.215 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -59.85 -47.67 84.78 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 174.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.72 -35.89 79.35 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -176.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -65.65 -35.64 81.37 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.485 0.659 . . . . 0.0 111.919 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.3 mm -85.83 -33.62 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.077 0 CA-C-O 122.462 1.125 . . . . 0.0 112.441 -174.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.8 mt -93.92 -25.07 17.45 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 114.231 1.196 . . . . 0.0 114.231 -175.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.72 32.55 57.09 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 120.296 -0.954 . . . . 0.0 113.759 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.8 m -105.83 154.59 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -179.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -64.55 -44.87 89.41 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.604 0.716 . . . . 0.0 111.827 -177.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 87.7 mtt-85 -139.21 157.3 46.17 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.581 -174.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.4 t -136.18 123.23 32.95 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.092 0 O-C-N 127.491 2.994 . . . . 0.0 107.51 175.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.38 168.74 54.04 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 108.989 -1.644 . . . . 0.0 108.989 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -69.45 -20.96 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 121.205 -1.174 . . . . 0.0 111.126 178.341 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -115.67 20.4 14.67 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -177.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.87 126.64 30.88 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.16 -0.616 . . . . 0.0 111.88 -174.345 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.87 115.79 17.89 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.21 0.528 . . . . 0.0 110.804 -176.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -49.78 -41.58 44.65 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.859 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -72.31 -26.25 61.87 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -176.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -84.75 -22.96 29.46 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -177.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.9 mt -79.23 11.57 2.8 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.731 174.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.17 4.16 66.91 Favored Glycine 0 C--N 1.331 0.29 0 CA-C-O 121.359 0.422 . . . . 0.0 114.124 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.71 147.38 48.22 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-O 122.486 1.048 . . . . 0.0 115.066 -178.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 79.6 p -137.98 170.29 16.31 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.6 m -61.98 -29.51 70.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.05 0.452 . . . . 0.0 111.203 177.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.32 -34.76 78.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.528 178.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.9 mt -83.97 -34.24 24.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.768 0.318 . . . . 0.0 110.733 176.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.18 -36.8 75.97 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -69.5 -27.24 65.02 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 121.228 -0.92 . . . . 0.0 111.998 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -75.98 -31.59 59.06 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 177.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.6 tp -67.46 -46.41 73.12 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 69.2 mt -59.8 -41.66 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.003 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.44 -45.2 94.52 Favored 'General case' 0 C--O 1.206 -1.204 0 C-N-CA 120.329 -0.548 . . . . 0.0 111.293 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 -64.24 -34.89 79.14 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 121.322 -0.861 . . . . 0.0 111.607 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.1 mt -61.99 -32.38 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.775 0 CA-C-O 121.353 0.597 . . . . 0.0 110.938 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -68.83 -30.25 68.76 Favored 'General case' 0 CA--C 1.503 -0.84 0 C-N-CA 119.576 -0.85 . . . . 0.0 112.497 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -75.74 -39.47 57.13 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 104.165 -2.531 . . . . 0.0 104.165 -174.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -90.05 -46.2 8.65 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.84 -169.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.4 mt -100.73 -7.64 23.56 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-O 121.093 0.473 . . . . 0.0 110.769 -174.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.23 16.83 78.61 Favored Glycine 0 N--CA 1.465 0.625 0 CA-C-N 115.421 -0.809 . . . . 0.0 115.113 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.0 m -139.04 156.19 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 118.066 0.933 . . . . 0.0 111.132 -176.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -84.17 122.73 29.25 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -73.61 120.9 83.58 Favored Pre-proline 0 CA--C 1.543 0.711 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -68.42 106.63 1.45 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 CA-C-O 121.469 0.529 . . . . 0.0 112.809 177.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.7 tt -56.05 -26.36 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -175.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.2 mmm-85 -63.7 -34.63 78.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 120.716 -1.24 . . . . 0.0 110.458 175.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -75.44 -31.85 60.47 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.5 tp -65.5 -41.79 92.81 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 177.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -70.88 -38.24 73.06 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.106 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.3 t -71.77 -28.0 63.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.876 0.37 . . . . 0.0 111.489 -178.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.2 m -142.39 83.88 11.72 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -79.11 32.67 0.47 Allowed 'Trans proline' 0 N--CA 1.48 0.726 0 C-N-CA 121.857 1.705 . . . . 0.0 114.492 -176.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 81.6 p -120.72 153.71 56.95 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 176.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.25 -31.78 17.71 Favored 'Trans proline' 0 CA--C 1.535 0.566 0 C-N-CA 115.593 -2.471 . . . . 0.0 114.401 -173.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.9 -29.21 35.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 121.357 -0.84 . . . . 0.0 109.76 175.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.56 -49.85 53.17 Favored Glycine 0 CA--C 1.5 -0.865 0 C-N-CA 120.192 -1.004 . . . . 0.0 110.674 -177.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.51 -36.93 77.37 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.304 0 CA-C-O 119.49 -0.29 . . . . 0.0 110.369 -176.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.85 -44.14 97.43 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 123.862 0.726 . . . . 0.0 111.682 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -77.36 -31.6 54.45 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.442 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.22 -49.27 67.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.032 0.444 . . . . 0.0 112.104 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 C--O 1.218 -0.59 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.2 177.756 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.4 m . . . . . 0 C--O 1.221 -0.408 0 CA-C-O 121.131 0.491 . . . . 74.42 110.541 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.16 -40.04 80.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.854 -0.612 . . . . 70.12 111.045 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -68.4 -35.85 78.27 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.089 0.403 . . . . 74.0 112.089 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.4 t -67.18 -45.1 87.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 107.876 -1.157 . . . . 74.41 107.876 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.4 mt -64.42 -37.98 89.43 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 116.057 -0.52 . . . . 73.13 111.68 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.4 m -58.38 -46.86 85.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.31 -0.244 . . . . 70.21 110.97 174.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.53 -33.69 74.54 Favored 'General case' 0 C--O 1.218 -0.596 0 O-C-N 121.627 -0.671 . . . . 71.43 110.061 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.06 -37.58 88.03 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 119.278 -0.391 . . . . 73.35 110.762 176.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -60.54 -45.01 95.47 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 107.126 -1.435 . . . . 73.35 107.126 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.52 -36.36 80.32 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 114.719 1.377 . . . . 41.12 114.719 -175.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.0 -32.95 69.91 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.823 -0.548 . . . . 72.43 109.853 -177.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.8 mm -84.91 -36.89 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.508 0 N-CA-C 113.693 0.997 . . . . 71.42 113.693 -176.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.2 mt -88.63 -18.25 28.37 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 124.015 0.926 . . . . 54.43 111.924 -177.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.18 32.89 51.05 Favored Glycine 0 C--O 1.226 -0.404 0 C-N-CA 121.152 -0.547 . . . . 74.22 113.092 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.7 m -115.55 154.15 17.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 122.473 -0.428 . . . . 73.54 110.357 -178.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.446 ' HB2' ' HE ' ' A' ' 27' ' ' ARG . 94.0 mt-10 -68.61 -34.95 76.66 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 114.456 1.28 . . . . 65.02 114.456 -176.377 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.446 ' HE ' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -146.35 158.06 43.85 Favored 'General case' 0 CA--C 1.494 -1.2 0 O-C-N 121.971 -0.456 . . . . 75.2 110.103 -173.443 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.66 137.88 31.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.31 -0.859 . . . . 74.32 109.32 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.35 164.19 39.83 Favored Glycine 0 CA--C 1.518 0.254 0 O-C-N 121.464 -0.773 . . . . 60.01 112.047 175.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -66.66 -22.81 30.3 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.986 0 O-C-N 121.658 -0.907 . . . . 41.35 112.91 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.99 22.85 12.29 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 120.935 0.397 . . . . 62.32 111.092 179.134 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.73 133.01 47.01 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.48 -0.488 . . . . 71.01 110.326 -175.342 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.43 123.16 27.27 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.524 -0.47 . . . . 60.31 109.791 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -51.64 -39.93 59.03 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.287 0.477 . . . . 62.55 112.287 -178.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -79.0 -14.32 59.27 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 114.863 1.431 . . . . 71.32 114.863 -177.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -71.48 -34.37 70.12 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.695 0.759 . . . . 61.32 109.319 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -82.11 20.1 1.07 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.193 -0.912 . . . . 52.03 110.683 176.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.1 9.72 83.74 Favored Glycine 0 C--O 1.239 0.446 0 O-C-N 121.945 -0.472 . . . . 64.14 113.243 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.8 132.85 49.57 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-O 122.093 0.829 . . . . 50.0 112.69 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.8 m -122.2 165.37 16.26 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.072 -0.564 . . . . 75.32 109.501 -176.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 t -55.9 -36.97 68.25 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.118 0.414 . . . . 62.44 112.118 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.95 -37.58 88.13 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.8 -0.563 . . . . 74.25 111.708 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.5 mt -71.99 -31.18 66.0 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.146 -0.346 . . . . 75.42 110.678 178.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.29 -34.55 75.4 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 116.488 -0.324 . . . . 63.15 110.344 177.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 89.0 mtp -65.38 -31.97 73.36 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 121.427 0.632 . . . . 63.02 110.582 177.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -75.82 -36.53 59.64 Favored 'General case' 0 C--O 1.205 -1.255 0 CA-C-O 121.156 0.503 . . . . 74.33 110.376 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 41.9 tp -58.45 -47.44 84.0 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.475 -1.239 . . . . 53.11 108.841 177.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 57.3 mt -60.45 -38.84 79.26 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 CA-C-N 114.647 -1.161 . . . . 71.35 110.309 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.53 -42.43 98.81 Favored 'General case' 0 C--O 1.207 -1.145 0 C-N-CA 120.396 -0.522 . . . . 72.43 110.98 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 72.3 mtt-85 -67.73 -31.53 71.52 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 113.648 0.981 . . . . 74.5 113.648 178.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.1 mt -61.67 -32.82 54.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 O-C-N 121.445 -0.784 . . . . 73.23 110.28 176.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -66.38 -29.63 69.84 Favored 'General case' 0 C--O 1.219 -0.52 0 O-C-N 121.337 -0.852 . . . . 74.35 112.505 175.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -81.52 -33.94 31.51 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.479 -0.563 . . . . 73.52 109.479 -175.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -91.22 -52.02 5.02 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 115.021 1.489 . . . . 53.15 115.021 -176.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.6 mt -96.61 -8.18 32.38 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 122.43 1.109 . . . . 74.22 109.976 -173.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.77 19.56 79.37 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 114.752 -1.113 . . . . 70.22 114.784 177.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.0 m -140.83 153.25 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-O 121.35 0.595 . . . . 72.43 111.358 -175.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -83.93 109.57 17.71 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.242 -0.651 . . . . 72.32 109.242 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.5 tp -65.94 123.78 85.9 Favored Pre-proline 0 C--N 1.327 -0.403 0 C-N-CA 119.933 -0.707 . . . . 71.23 109.196 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -64.81 123.4 11.61 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 117.878 -0.948 . . . . 73.41 110.015 171.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.0 tt -60.96 -24.29 32.4 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-O 121.336 0.589 . . . . 60.31 111.365 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.2 tpp85 -63.5 -34.55 78.02 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 121.577 -0.702 . . . . 74.11 110.462 176.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -68.28 -36.37 79.29 Favored 'General case' 0 N--CA 1.432 -1.33 0 CA-C-N 119.287 0.949 . . . . 43.51 109.455 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.9 tp -65.68 -43.77 88.24 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.523 0.678 . . . . 61.42 109.704 178.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -69.86 -24.34 63.42 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.835 -0.541 . . . . 63.11 112.111 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.7 m -82.08 -23.72 35.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.073 0.464 . . . . 74.42 110.648 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.6 m -153.2 92.38 3.26 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 109.637 -0.505 . . . . 63.12 109.637 -178.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -80.06 18.86 1.1 Allowed 'Trans proline' 0 CA--C 1.539 0.761 0 N-CA-C 115.978 1.492 . . . . 43.43 115.978 -174.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 39.8 p -111.43 155.84 42.22 Favored Pre-proline 0 CA--C 1.51 -0.579 0 CA-C-N 118.551 0.614 . . . . 74.11 109.754 178.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -68.89 -32.87 21.54 Favored 'Trans proline' 0 C--O 1.252 1.216 0 C-N-CA 115.297 -2.669 . . . . 74.35 113.141 -174.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -79.33 -28.31 42.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 119.864 1.211 . . . . 71.34 112.101 174.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.03 -47.99 69.22 Favored Glycine 0 CA--C 1.5 -0.888 0 N-CA-C 110.407 -1.077 . . . . 75.51 110.407 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.2 p -66.09 -33.7 65.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 C-N-CA 121.34 -0.144 . . . . 42.11 111.307 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.74 -44.39 97.0 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.019 0.928 . . . . 71.34 109.582 176.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 65.2 mtm180 -66.64 -42.14 87.17 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 120.974 -1.079 . . . . 71.33 109.604 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.02 -44.93 87.57 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.646 -0.706 . . . . 42.31 112.81 -176.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.4 pp . . . . . 0 C--N 1.314 -0.956 0 O-C-N 121.983 -0.448 . . . . 72.21 110.117 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.234 0.277 0 CA-C-O 120.863 0.363 . . . . 72.41 110.956 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -59.06 -44.54 91.84 Favored 'General case' 0 CA--C 1.505 -0.787 0 N-CA-C 113.036 0.754 . . . . 71.0 113.036 -175.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -62.98 -32.99 74.45 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 119.572 -0.851 . . . . 61.22 112.449 -175.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.8 t -70.45 -49.77 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 N-CA-C 109.896 -0.409 . . . . 61.02 109.896 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 pp -69.76 -30.51 68.11 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.51 -0.476 . . . . 53.4 111.668 -178.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.5 m -63.22 -45.09 93.25 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 121.986 -0.446 . . . . 71.21 110.705 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.04 86.29 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.756 -0.59 . . . . 54.54 109.802 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 mp -63.46 -38.57 91.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.969 -0.559 . . . . 70.44 110.566 177.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -57.01 -45.41 83.08 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 106.941 -1.503 . . . . 72.42 106.941 177.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.71 -39.06 87.16 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 113.985 1.106 . . . . 72.4 113.985 -176.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -67.64 -41.76 83.36 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.823 0.675 . . . . 73.44 112.823 177.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 30.0 mm -76.11 -36.82 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.033 0 CA-C-N 114.863 -1.062 . . . . 73.23 111.694 -173.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 mt -91.74 -19.15 22.91 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.375 -0.83 . . . . 72.55 112.271 -177.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.25 34.76 54.29 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.758 -0.734 . . . . 33.34 113.046 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.2 m -111.67 153.3 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-O 121.038 0.447 . . . . 62.23 111.113 -177.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -67.71 -32.06 72.43 Favored 'General case' 0 C--O 1.275 2.405 0 N-CA-C 113.595 0.961 . . . . 54.45 113.595 -174.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.296 43.0 ttp180 -152.8 157.64 41.07 Favored 'General case' 0 N--CA 1.417 -2.097 0 N-CA-C 105.754 -1.943 . . . . 72.34 105.754 -171.242 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.3 t -134.0 129.71 54.54 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 CA-C-O 122.819 1.295 . . . . 75.04 113.405 172.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.61 169.57 27.43 Favored Glycine 0 N--CA 1.439 -1.152 0 O-C-N 119.591 -1.943 . . . . 75.05 113.572 172.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -66.4 -23.72 32.09 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 N-CA-C 114.977 1.473 . . . . 74.11 114.977 177.465 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -98.71 3.66 47.7 Favored 'General case' 0 N--CA 1.437 -1.1 0 N-CA-C 115.281 1.586 . . . . 71.25 115.281 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.33 116.84 18.27 Favored 'General case' 0 C--N 1.308 -1.225 0 O-C-N 120.954 -1.091 . . . . 62.31 110.331 -169.037 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.56 132.72 37.27 Favored 'General case' 0 C--O 1.21 -0.984 0 CA-C-O 122.076 0.941 . . . . 64.43 108.497 -176.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -55.85 -37.25 68.5 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.455 -1.248 . . . . 72.32 109.503 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -78.46 -18.45 54.86 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 120.942 -1.099 . . . . 72.24 113.802 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -81.25 -30.17 34.21 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 106.893 -1.521 . . . . 73.24 106.893 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 78.3 mt -82.55 19.46 1.27 Allowed 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 114.616 -1.175 . . . . 74.43 111.577 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.04 2.78 88.13 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 116.195 1.238 . . . . 73.32 116.195 176.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.76 150.34 49.21 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 115.017 0.767 . . . . 70.15 115.017 -178.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 84.9 p -126.03 170.73 11.44 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 122.875 0.47 . . . . 75.51 109.796 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.1 p -65.3 -30.6 71.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.965 0.412 . . . . 61.34 110.725 177.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.14 -43.62 77.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.395 0.617 . . . . 75.34 109.458 176.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.0 tp -67.55 -32.26 72.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.907 -0.588 . . . . 62.25 110.896 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.38 -31.38 65.74 Favored 'General case' 0 C--O 1.205 -1.239 0 N-CA-C 112.602 0.593 . . . . 74.25 112.602 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.5 mmt -62.27 -31.69 72.3 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 121.71 0.767 . . . . 75.15 110.923 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -75.14 -35.33 61.67 Favored 'General case' 0 CA--C 1.507 -0.694 0 O-C-N 121.667 -0.646 . . . . 74.3 109.973 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 53.0 tp -62.08 -47.35 85.06 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 107.936 -1.135 . . . . 55.55 107.936 177.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 71.2 mt -60.4 -43.59 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-N 115.41 -0.814 . . . . 73.42 109.338 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.84 96.2 Favored 'General case' 0 C--O 1.21 -1.015 0 C-N-CA 121.354 -0.138 . . . . 63.12 111.15 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.58 -39.46 93.78 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 120.942 0.401 . . . . 74.22 111.754 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 79.7 mt -62.04 -29.78 47.24 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.112 0 N-CA-C 112.448 0.536 . . . . 52.23 112.448 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -66.19 -31.39 72.2 Favored 'General case' 0 C--O 1.172 -3.005 0 N-CA-C 112.836 0.68 . . . . 74.54 112.836 177.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -78.52 -38.98 39.31 Favored 'General case' 0 CA--C 1.487 -1.465 0 N-CA-C 106.241 -1.763 . . . . 75.23 106.241 -176.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -82.23 -43.59 17.43 Favored 'General case' 0 CA--C 1.562 1.441 0 CA-C-O 121.677 0.751 . . . . 70.24 112.062 -170.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.2 mt -112.88 -4.7 13.92 Favored 'General case' 0 C--N 1.358 0.962 0 O-C-N 121.834 -0.541 . . . . 73.31 110.38 -169.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.96 17.62 79.45 Favored Glycine 0 N--CA 1.475 1.265 0 C-N-CA 120.441 -0.885 . . . . 22.3 114.392 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.4 m -140.63 148.29 22.17 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 CA-C-O 121.661 0.743 . . . . 61.11 112.622 -177.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -77.3 117.84 19.2 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 107.644 -1.243 . . . . 75.33 107.644 173.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.3 tp -61.97 126.95 88.47 Favored Pre-proline 0 CA--C 1.539 0.521 0 N-CA-C 108.201 -1.037 . . . . 61.2 108.201 176.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -63.68 118.93 5.84 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 117.328 -1.314 . . . . 73.31 111.228 176.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.8 tt -62.51 -25.28 37.55 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 O-C-N 121.798 -0.564 . . . . 72.42 110.693 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -61.38 -41.3 96.87 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 122.084 -0.385 . . . . 75.35 110.545 175.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -69.21 -38.09 78.4 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 118.039 0.381 . . . . 72.15 110.358 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.4 tp -64.96 -43.96 90.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.503 -0.317 . . . . 74.03 110.623 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.4 m-30 -69.88 -31.32 69.07 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.201 0.445 . . . . 72.24 112.201 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.0 m -76.11 -22.94 54.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.128 0.49 . . . . 31.52 111.563 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 65.6 m -150.23 86.31 5.22 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.521 -0.308 . . . . 74.34 110.276 -178.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -78.6 24.37 0.57 Allowed 'Trans proline' 0 CA--C 1.539 0.773 0 N-CA-C 116.02 1.508 . . . . 75.23 116.02 -176.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.6 p -115.75 155.09 48.02 Favored Pre-proline 0 C--O 1.237 0.417 0 N-CA-C 106.992 -1.484 . . . . 63.32 106.992 175.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -66.85 -36.41 23.61 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 N-CA-C 114.527 0.934 . . . . 75.03 114.527 -177.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.6 -31.46 63.58 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 121.416 -0.803 . . . . 61.13 109.791 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.4 -49.97 41.44 Favored Glycine 0 N--CA 1.442 -0.949 0 N-CA-C 110.285 -1.126 . . . . 72.31 110.285 -177.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.0 p -66.28 -32.45 58.12 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.561 0 O-C-N 122.128 -0.631 . . . . 71.13 110.592 -177.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.24 -48.92 77.84 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 120.278 -0.569 . . . . 73.13 112.138 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.9 ptt-85 -69.56 -32.29 70.99 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 119.5 -0.88 . . . . 71.03 109.688 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.97 -41.01 78.5 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 121.093 0.473 . . . . 74.12 111.167 -177.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 C--N 1.317 -0.846 0 O-C-N 122.034 -0.416 . . . . 41.43 111.352 179.946 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.2 m . . . . . 0 N--CA 1.464 0.246 0 N-CA-C 113.088 0.773 . . . . 71.14 113.088 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.01 -38.51 76.29 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 121.361 0.6 . . . . 72.01 110.533 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -73.94 -34.61 64.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.295 -0.412 . . . . 61.11 111.209 -175.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.1 t -66.97 -45.38 87.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 107.216 -1.402 . . . . 61.03 107.216 177.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.0 mt -66.27 -39.31 89.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.438 -0.346 . . . . 71.43 111.68 -178.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 49.6 m -57.89 -45.79 85.9 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.999 -0.28 . . . . 72.31 110.375 175.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.17 -39.2 82.61 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.595 0.712 . . . . 53.35 111.502 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 tp -62.01 -33.51 74.48 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.507 -0.746 . . . . 75.14 112.47 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -61.92 -44.97 95.69 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.478 -1.304 . . . . 70.41 107.478 175.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.28 -40.69 97.08 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 120.049 -0.661 . . . . 54.23 112.728 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -64.08 -32.06 73.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.409 0.623 . . . . 75.31 111.924 -178.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 34.9 mm -91.01 -37.71 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.916 0 N-CA-C 114.563 1.32 . . . . 73.12 114.563 -175.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.5 mt -89.34 -21.18 23.24 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.712 -0.676 . . . . 65.15 112.581 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.2 26.87 60.93 Favored Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.094 -1.051 . . . . 73.12 113.543 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -102.38 151.62 5.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 121.992 -0.711 . . . . 73.24 111.421 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -68.52 -29.82 68.49 Favored 'General case' 0 C--O 1.246 0.906 0 N-CA-C 112.827 0.677 . . . . 73.1 112.827 -174.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -147.16 149.72 33.53 Favored 'General case' 0 CA--C 1.505 -0.787 0 O-C-N 121.397 -0.814 . . . . 73.42 109.687 -172.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.3 t -138.65 131.13 38.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 106.502 -1.666 . . . . 70.24 106.502 175.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.64 171.48 30.5 Favored Glycine 0 CA--C 1.533 1.197 0 N-CA-C 110.017 -1.233 . . . . 43.01 110.017 175.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.1 m -71.59 -22.22 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 N-CA-C 113.198 0.814 . . . . 74.15 113.198 -177.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -111.84 17.9 19.36 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.47 -1.241 . . . . 75.32 110.3 -177.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.38 122.43 22.95 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.395 -0.522 . . . . 74.11 110.859 -176.538 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.62 127.25 32.66 Favored 'General case' 0 C--O 1.211 -0.935 0 N-CA-C 108.613 -0.884 . . . . 54.12 108.613 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -56.03 -35.89 67.36 Favored 'General case' 0 C--O 1.211 -0.928 0 CA-C-N 116.192 -0.458 . . . . 74.01 110.913 -178.035 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -79.97 -20.93 44.4 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 114.349 1.24 . . . . 74.41 114.349 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -74.13 -33.68 63.63 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 122.616 1.198 . . . . 71.43 108.202 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.2 mt -79.95 22.23 0.51 Allowed 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 114.287 -1.324 . . . . 71.21 112.76 177.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.94 27.73 52.4 Favored Glycine 0 N--CA 1.464 0.543 0 N-CA-C 114.654 0.621 . . . . 73.2 114.654 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.15 156.52 52.07 Favored Glycine 0 CA--C 1.523 0.566 0 CA-C-O 122.471 1.039 . . . . 72.41 115.636 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.7 t -143.01 158.12 43.9 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.021 -1.103 . . . . 64.14 108.021 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.8 p -63.7 -32.34 73.8 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.57 -0.9 . . . . 75.11 108.57 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.19 -29.46 70.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.162 -0.927 . . . . 63.43 110.809 178.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.5 mt -88.67 -29.08 20.17 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 122.346 -0.222 . . . . 71.15 110.988 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.21 -43.03 87.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.649 0.261 . . . . 63.42 110.404 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 27.7 ptm -69.75 -27.05 64.62 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.481 -0.488 . . . . 71.03 111.754 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -74.72 -31.39 61.83 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.232 0.539 . . . . 75.34 109.705 176.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 48.2 tp -67.86 -46.68 71.04 Favored 'General case' 0 C--O 1.212 -0.884 0 N-CA-C 108.15 -1.056 . . . . 61.15 108.15 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.6 mt -61.08 -37.9 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-N 116.253 -0.43 . . . . 64.12 110.26 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.26 99.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.139 0.495 . . . . 45.1 109.848 177.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -68.53 -32.98 73.31 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.568 0.951 . . . . 61.45 113.568 177.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.506 HG21 ' HB2' ' A' ' 59' ' ' LEU . 92.6 mt -59.23 -35.26 56.9 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 CA-C-O 122.776 1.274 . . . . 74.23 111.627 176.144 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -60.9 -28.61 69.03 Favored 'General case' 0 CA--C 1.511 -0.53 0 O-C-N 120.589 -1.319 . . . . 73.4 113.425 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -81.12 -40.22 24.37 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 106.85 -1.537 . . . . 74.41 106.85 -175.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -82.51 -52.45 6.84 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.097 -0.956 . . . . 72.21 112.474 -170.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.7 mt -96.57 -9.44 29.44 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-N 115.749 -0.66 . . . . 71.2 110.562 -175.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.65 18.91 79.64 Favored Glycine 0 C--N 1.339 0.695 0 N-CA-C 115.904 1.122 . . . . 34.1 115.904 178.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.5 m -139.1 152.05 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 121.37 0.605 . . . . 71.42 111.66 -175.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -84.22 98.39 9.92 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.991 -1.115 . . . . 74.21 107.991 175.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.506 ' HB2' HG21 ' A' ' 51' ' ' ILE . 1.5 tm? -71.11 121.03 83.01 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-O 121.373 0.606 . . . . 74.31 111.177 -174.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -61.7 132.67 41.29 Favored 'Trans proline' 0 C--N 1.345 0.394 0 N-CA-C 111.473 -0.241 . . . . 73.24 111.473 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.5 tt -61.58 -22.81 28.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 O-C-N 121.744 -0.597 . . . . 73.14 111.427 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -64.98 -33.21 75.51 Favored 'General case' 0 C--O 1.207 -1.172 0 O-C-N 121.923 -0.486 . . . . 75.24 111.091 175.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -40.79 76.59 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 108.49 -0.93 . . . . 73.13 108.49 177.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.4 tp -65.64 -46.16 80.29 Favored 'General case' 0 C--O 1.213 -0.853 0 CA-C-N 116.627 -0.261 . . . . 71.44 111.567 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -71.57 -25.4 62.18 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.703 0.631 . . . . 70.33 112.703 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.8 t -69.43 -30.8 68.82 Favored 'General case' 0 CA--C 1.509 -0.626 0 C-N-CA 120.958 -0.297 . . . . 72.12 110.723 178.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.9 m -151.5 90.06 4.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 108.847 -0.797 . . . . 64.32 108.847 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -79.23 27.81 0.51 Allowed 'Trans proline' 0 C--N 1.354 0.841 0 N-CA-C 116.278 1.607 . . . . 65.44 116.278 -173.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.0 p -116.8 152.36 48.42 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 106.364 -1.717 . . . . 72.5 106.364 178.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -66.63 -32.77 37.71 Favored 'Trans proline' 0 CA--C 1.536 0.616 0 C-N-CA 113.582 -3.812 . . . . 74.02 114.428 -173.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.92 -31.55 63.13 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 120.904 -1.123 . . . . 72.21 109.615 175.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -64.62 -44.55 94.84 Favored Glycine 0 C--O 1.222 -0.602 0 C-N-CA 120.558 -0.829 . . . . 65.12 111.762 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.1 t -57.57 -41.64 79.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 108.665 -0.865 . . . . 53.11 108.665 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.51 98.99 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-O 121.077 0.465 . . . . 74.05 111.169 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 65.7 mtm180 -68.47 -40.44 81.01 Favored 'General case' 0 C--N 1.308 -1.208 0 O-C-N 121.198 -0.939 . . . . 75.15 110.352 178.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.54 -36.8 84.89 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.996 -0.547 . . . . 74.23 111.937 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 C--N 1.318 -0.767 0 O-C-N 122.12 -0.363 . . . . 72.33 111.531 179.444 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.225 -0.193 0 CA-C-O 121.088 0.47 . . . . 74.3 110.909 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -62.39 -42.0 99.08 Favored 'General case' 0 C--O 1.213 -0.863 0 CA-C-N 116.225 -0.443 . . . . 71.44 112.002 -176.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -64.23 -30.72 71.77 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 120.247 -0.581 . . . . 72.02 112.501 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.9 t -71.06 -45.69 70.93 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.56 0 N-CA-C 107.153 -1.425 . . . . 64.43 107.153 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.2 mt -63.66 -43.41 96.81 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.034 -0.53 . . . . 72.11 110.717 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.7 m -57.5 -46.49 83.7 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-O 120.739 0.304 . . . . 72.02 111.307 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.35 -36.28 74.09 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 119.834 -0.746 . . . . 72.32 111.068 -178.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mp -66.35 -31.49 72.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.134 -0.354 . . . . 53.54 111.856 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -60.06 -53.12 61.58 Favored 'General case' 0 C--O 1.203 -1.362 0 N-CA-C 106.18 -1.785 . . . . 73.45 106.18 172.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.11 -46.87 84.84 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.219 0.822 . . . . 61.14 113.219 -175.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -60.64 -33.86 73.43 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.309 0.576 . . . . 74.1 112.378 -177.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 89.9 mt -92.63 -39.89 11.63 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 N-CA-C 112.605 0.594 . . . . 71.52 112.605 -176.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.8 mt -77.54 -25.37 50.09 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.129 0.571 . . . . 74.12 111.279 -177.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.23 35.04 49.9 Favored Glycine 0 C--N 1.329 0.187 0 C-N-CA 120.486 -0.864 . . . . 53.21 112.639 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -109.02 157.23 9.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 121.216 0.531 . . . . 71.32 111.777 -176.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -63.95 -40.24 95.97 Favored 'General case' 0 C--O 1.244 0.797 0 N-CA-C 114.12 1.155 . . . . 74.31 114.12 -176.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -149.51 162.37 40.29 Favored 'General case' 0 CA--C 1.49 -1.353 0 O-C-N 121.963 -0.461 . . . . 73.45 110.483 -177.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.9 t -139.11 126.42 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.66 0 N-CA-C 106.763 -1.569 . . . . 41.42 106.763 175.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.49 165.06 29.66 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 109.706 -1.358 . . . . 75.41 109.706 173.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -25.33 33.7 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 117.894 0.847 . . . . 72.52 112.164 177.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -110.68 19.49 18.6 Favored 'General case' 0 C--O 1.21 -0.992 0 O-C-N 121.968 -0.457 . . . . 73.02 111.784 -177.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.96 130.78 35.55 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 120.323 -0.551 . . . . 63.41 112.385 -175.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.22 124.53 27.96 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.573 0.701 . . . . 61.02 111.284 -176.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -53.14 -40.57 64.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.494 -0.775 . . . . 70.22 111.722 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -78.98 -22.16 46.01 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 114.438 1.273 . . . . 73.4 114.438 -177.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -75.45 -32.31 60.59 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 107.252 -1.388 . . . . 65.22 107.252 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.6 mp -81.58 15.26 2.18 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 113.844 -1.526 . . . . 75.02 110.56 176.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.17 1.01 79.73 Favored Glycine 0 C--O 1.214 -1.149 0 N-CA-C 117.301 1.68 . . . . 71.12 117.301 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -73.84 101.53 1.22 Allowed Glycine 0 C--N 1.317 -0.484 0 N-CA-C 115.945 1.138 . . . . 52.23 115.945 -176.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.3 p -72.03 163.89 27.09 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.108 0.48 . . . . 64.5 110.691 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.8 t -64.68 -23.95 67.42 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.736 -0.602 . . . . 55.04 111.447 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.38 -38.5 74.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.621 0.724 . . . . 73.32 109.242 177.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.3 tp -71.02 -32.58 69.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.593 -0.73 . . . . 53.51 110.475 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.5 -31.76 62.31 Favored 'General case' 0 C--O 1.206 -1.185 0 N-CA-C 112.708 0.633 . . . . 62.22 112.708 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.6 mmt -64.1 -30.72 71.77 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 121.486 -0.759 . . . . 64.14 111.761 177.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -76.35 -32.83 58.86 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.397 -0.815 . . . . 72.1 109.389 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 43.7 tp -60.88 -47.4 86.57 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 108.933 -0.766 . . . . 75.24 108.933 176.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.9 mt -61.71 -40.35 86.5 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 CA-C-N 115.75 -0.659 . . . . 75.04 110.576 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.49 94.06 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 120.857 -0.337 . . . . 72.14 111.428 177.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -65.85 -33.08 75.02 Favored 'General case' 0 C--O 1.208 -1.116 0 O-C-N 122.924 0.14 . . . . 61.01 111.186 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.9 mt -64.13 -27.46 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.68 0 O-C-N 123.915 0.76 . . . . 72.14 110.036 -177.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -65.12 -31.62 72.91 Favored 'General case' 0 C--O 1.202 -1.397 0 CA-C-O 121.85 0.834 . . . . 75.54 112.273 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -80.7 -34.27 34.71 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.893 -0.781 . . . . 63.4 108.893 -175.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -88.29 -45.39 10.08 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 113.554 -1.657 . . . . 72.22 112.375 -174.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 61.3 mt -102.18 -7.99 21.72 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-N 118.911 0.778 . . . . 64.23 110.758 -174.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.77 20.16 79.62 Favored Glycine 0 N--CA 1.465 0.594 0 CA-C-N 115.547 -0.751 . . . . 72.24 113.868 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.7 p -145.77 149.31 16.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.893 0.346 . . . . 72.33 110.453 -175.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -81.14 121.65 26.38 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.754 -0.832 . . . . 73.22 108.754 174.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -66.06 122.38 80.85 Favored Pre-proline 0 C--O 1.241 0.635 0 N-CA-C 109.764 -0.458 . . . . 72.34 109.764 -177.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -67.47 112.06 2.49 Favored 'Trans proline' 0 C--N 1.345 0.39 0 CA-C-O 121.62 0.592 . . . . 55.31 111.832 176.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.6 tt -58.05 -22.67 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 113.431 0.901 . . . . 73.21 113.431 -175.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -61.9 -42.83 99.55 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.717 -0.614 . . . . 73.41 110.603 174.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -76.8 -25.02 52.84 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 110.144 -0.317 . . . . 73.03 110.144 -177.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.8 tp -65.11 -46.66 80.13 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.002 0.429 . . . . 73.32 110.873 173.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -75.05 -22.41 58.41 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.342 -0.39 . . . . 74.03 110.788 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.9 t -63.32 -34.42 77.65 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 122.847 0.459 . . . . 75.4 109.98 177.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 39.7 m -158.65 101.85 1.65 Allowed Pre-proline 0 C--N 1.329 -0.307 0 N-CA-C 109.233 -0.655 . . . . 64.13 109.233 176.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -76.95 42.68 1.14 Allowed 'Trans proline' 0 C--O 1.213 -0.738 0 C-N-CA 121.464 1.443 . . . . 75.03 113.658 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 46.8 p -126.18 151.44 72.02 Favored Pre-proline 0 CA--C 1.509 -0.618 0 N-CA-C 105.567 -2.012 . . . . 72.31 105.567 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -66.68 -33.74 34.27 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 114.64 -3.107 . . . . 72.22 114.619 -173.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.85 -30.33 58.88 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.918 0.866 . . . . 71.34 110.067 175.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -64.24 -43.63 96.74 Favored Glycine 0 C--O 1.217 -0.916 0 N-CA-C 110.72 -0.952 . . . . 71.23 110.72 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.42 -47.6 92.7 Favored 'Isoleucine or valine' 0 C--O 1.27 2.149 0 N-CA-C 110.046 -0.353 . . . . 71.11 110.046 176.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.84 -50.2 71.22 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.631 1.173 . . . . 75.42 112.89 177.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 22.2 ptt-85 -67.37 -33.88 76.14 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 120.029 -1.669 . . . . 73.45 110.022 -177.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.65 -41.97 71.43 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-O 121.451 0.643 . . . . 13.23 112.328 -177.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 C--N 1.318 -0.79 0 CA-C-N 116.04 -0.527 . . . . 73.15 111.773 -179.707 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.6 m . . . . . 0 N--CA 1.469 0.503 0 CA-C-O 121.516 0.674 . . . . 64.13 111.258 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -57.72 -38.77 75.86 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 115.592 -0.731 . . . . 73.11 111.204 178.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -65.44 -39.04 91.59 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 111.513 0.19 . . . . 72.4 111.513 -177.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.3 t -68.99 -42.94 82.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.202 -1.036 . . . . 61.15 108.202 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.8 mt -63.03 -40.16 96.89 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 116.021 -0.536 . . . . 45.35 110.591 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 66.7 m -58.84 -45.09 90.87 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 111.851 0.315 . . . . 72.44 111.851 176.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.56 -38.69 87.64 Favored 'General case' 0 C--O 1.24 0.585 0 C-N-CA 120.103 -0.639 . . . . 72.43 111.312 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.416 HD22 ' HB3' ' A' ' 50' ' ' ARG . 46.7 mt -67.07 -32.21 73.24 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-O 121.42 0.629 . . . . 73.04 111.815 179.172 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -61.86 -42.97 99.69 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 108.972 -0.751 . . . . 73.43 108.972 174.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.9 98.5 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 113.296 0.85 . . . . 73.42 113.296 -176.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -70.68 -25.4 62.96 Favored 'General case' 0 C--N 1.314 -0.968 0 O-C-N 121.531 -0.73 . . . . 64.02 112.627 -178.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.0 mm -86.33 -40.64 14.47 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 114.029 1.122 . . . . 74.41 114.029 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.0 mt -88.81 -19.43 25.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.043 -0.526 . . . . 72.21 111.458 -176.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.9 23.87 68.28 Favored Glycine 0 C--O 1.239 0.43 0 N-CA-C 113.659 0.224 . . . . 50.04 113.659 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.3 m -98.19 157.61 3.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-O 121.494 0.664 . . . . 75.33 111.893 -175.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -65.32 -41.03 94.41 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 115.061 -0.972 . . . . 73.14 112.726 -174.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.9 mtm180 -144.61 160.06 41.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.306 -0.861 . . . . 74.32 109.517 -177.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.7 t -134.32 125.57 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 O-C-N 124.569 1.168 . . . . 71.22 107.871 176.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.92 161.4 30.56 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 109.151 -1.579 . . . . 65.24 109.151 176.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.0 m -66.98 -15.55 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 O-C-N 121.284 -1.127 . . . . 73.33 112.043 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.4 18.65 13.59 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.186 0.517 . . . . 63.33 111.45 -178.227 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.85 136.82 40.17 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 120.054 -0.659 . . . . 73.22 110.04 -175.441 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.78 116.15 22.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.242 -0.436 . . . . 64.45 110.72 -177.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -50.93 -41.31 58.75 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.901 -0.591 . . . . 71.32 112.379 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -74.21 -28.29 61.2 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.236 0.828 . . . . 75.44 113.236 -176.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -75.8 -34.77 60.18 Favored 'General case' 0 C--O 1.211 -0.922 0 N-CA-C 108.582 -0.895 . . . . 63.4 108.582 -176.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.9 mp -75.88 24.23 0.13 Allowed 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 114.788 -1.096 . . . . 71.51 112.487 178.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.23 15.81 60.08 Favored Glycine 0 CA--C 1.524 0.642 0 CA-C-O 121.881 0.711 . . . . 65.14 113.505 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.82 151.27 51.23 Favored Glycine 0 C--O 1.226 -0.393 0 CA-C-O 122.595 1.108 . . . . 74.51 114.6 -178.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 52.0 m -143.33 159.66 41.95 Favored 'General case' 0 C--O 1.217 -0.618 0 N-CA-C 108.29 -1.004 . . . . 72.21 108.29 -178.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.6 t -60.32 -36.03 76.99 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.688 0.756 . . . . 44.51 110.151 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.14 -38.6 91.12 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 121.719 -0.613 . . . . 64.53 111.801 177.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.4 mt -72.81 -30.14 63.82 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 122.329 -0.232 . . . . 71.22 110.696 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.27 -41.71 99.05 Favored 'General case' 0 C--O 1.207 -1.158 0 CA-C-O 121.437 0.637 . . . . 44.24 109.763 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 97.4 mmm -63.89 -36.51 84.17 Favored 'General case' 0 C--O 1.243 0.736 0 O-C-N 121.572 -0.705 . . . . 55.2 110.817 177.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -67.08 -41.64 86.03 Favored 'General case' 0 C--O 1.21 -1.012 0 CA-C-O 120.966 0.412 . . . . 65.11 111.807 176.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.0 tp -59.58 -45.55 91.54 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-O 121.164 0.507 . . . . 73.3 110.217 178.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 59.1 mt -59.69 -36.67 67.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 122.161 -0.337 . . . . 74.24 110.561 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.3 -42.6 99.5 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 120.502 -0.479 . . . . 65.24 111.143 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.416 ' HB3' HD22 ' A' ' 18' ' ' LEU . 25.5 mmt85 -67.67 -31.57 71.65 Favored 'General case' 0 C--O 1.209 -1.038 0 CA-C-O 121.348 0.594 . . . . 74.54 111.934 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.37 -31.61 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 N-CA-C 109.646 -0.502 . . . . 43.3 109.646 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -67.44 -28.85 68.23 Favored 'General case' 0 CA--C 1.513 -0.468 0 O-C-N 121.548 -0.72 . . . . 73.14 112.078 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -79.86 -39.23 31.03 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 109.106 -0.701 . . . . 73.33 109.106 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -85.97 -48.49 8.64 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 115.522 1.675 . . . . 71.01 115.522 -173.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.8 mt -103.24 -6.24 22.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.528 -0.732 . . . . 74.02 110.784 -176.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.93 20.33 77.66 Favored Glycine 0 C--N 1.33 0.205 0 N-CA-C 115.97 1.148 . . . . 54.41 115.97 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.6 m -137.64 154.95 30.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.489 0.661 . . . . 74.43 110.887 -174.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -89.24 107.19 18.91 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.844 -0.798 . . . . 75.0 108.844 174.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -79.98 116.36 60.72 Favored Pre-proline 0 CA--C 1.556 1.187 0 N-CA-C 109.622 -0.51 . . . . 51.14 109.622 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -60.77 135.86 62.72 Favored 'Trans proline' 0 CA--C 1.549 1.265 0 N-CA-C 113.926 0.702 . . . . 74.11 113.926 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.1 tt -62.84 -23.2 32.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 O-C-N 121.808 -0.557 . . . . 72.13 111.157 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -60.63 -32.25 71.4 Favored 'General case' 0 C--O 1.207 -1.163 0 O-C-N 121.413 -0.804 . . . . 75.42 110.202 175.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.51 -38.86 71.09 Favored 'General case' 0 C--O 1.204 -1.337 0 N-CA-C 109.83 -0.433 . . . . 60.43 109.83 -178.033 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.3 mt -67.99 -41.54 82.16 Favored 'General case' 0 C--O 1.21 -1.005 0 CA-C-N 117.792 0.269 . . . . 62.42 110.882 176.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -66.88 -32.28 73.44 Favored 'General case' 0 C--O 1.211 -0.939 0 O-C-N 121.917 -0.489 . . . . 71.52 111.068 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.4 t -79.7 -25.95 41.04 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 121.458 0.647 . . . . 73.34 110.395 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.5 m -146.88 87.31 6.3 Favored Pre-proline 0 C--O 1.222 -0.37 0 CA-C-N 116.015 -0.539 . . . . 44.24 109.751 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -80.12 20.12 0.96 Allowed 'Trans proline' 0 CA--C 1.536 0.616 0 N-CA-C 116.971 1.873 . . . . 65.15 116.971 -175.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.4 p -114.37 153.7 46.5 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 107.446 -1.316 . . . . 42.51 107.446 177.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.31 -31.87 27.54 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 116.71 -1.727 . . . . 71.02 114.172 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.51 -29.32 61.36 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 121.09 -1.007 . . . . 60.12 111.621 175.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.1 -51.52 13.86 Favored Glycine 0 N--CA 1.441 -1.015 0 N-CA-C 109.58 -1.408 . . . . 74.21 109.58 -178.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.6 p -63.89 -32.93 59.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 O-C-N 122.445 -0.444 . . . . 51.32 111.558 -177.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.72 -48.46 77.7 Favored 'General case' 0 C--O 1.224 -0.261 0 N-CA-C 112.439 0.533 . . . . 61.41 112.439 176.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -76.4 -32.75 58.7 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 120.16 -0.616 . . . . 71.34 111.519 -178.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.38 -39.75 89.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.73 0.3 . . . . 71.3 110.684 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 C--O 1.215 -0.757 0 O-C-N 121.649 -0.657 . . . . 71.13 110.436 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.5 m . . . . . 0 C--O 1.224 -0.289 0 N-CA-C 111.511 0.189 . . . . 71.23 111.511 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -61.15 -40.54 94.24 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.065 0.394 . . . . 72.23 112.065 -177.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.96 -31.57 72.23 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.335 -0.853 . . . . 74.42 110.105 -177.018 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.0 t -68.57 -51.85 42.16 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.606 0 N-CA-C 109.528 -0.545 . . . . 73.41 109.528 -178.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -70.79 -30.7 67.24 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.955 0.724 . . . . 73.05 112.955 -177.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.7 m -63.2 -46.18 88.23 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 122.174 -0.329 . . . . 54.34 110.873 173.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.91 -35.11 79.73 Favored 'General case' 0 C--O 1.207 -1.158 0 N-CA-C 109.125 -0.694 . . . . 73.34 109.125 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mp -65.33 -33.67 76.52 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.205 -0.452 . . . . 70.11 111.279 178.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -58.02 -48.18 80.84 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 106.752 -1.573 . . . . 71.34 106.752 174.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.02 85.58 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 112.998 0.74 . . . . 25.55 112.998 -174.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -70.82 -34.2 71.47 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 121.463 0.649 . . . . 73.52 110.733 -177.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.8 mm -83.21 -37.4 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 CA-C-N 114.992 -1.004 . . . . 71.32 113.425 -175.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.8 mt -91.01 -23.15 20.47 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 123.76 0.824 . . . . 62.52 112.47 -177.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.24 33.01 37.03 Favored Glycine 0 C--O 1.229 -0.191 0 C-N-CA 120.654 -0.784 . . . . 74.4 112.586 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.8 m -110.04 152.96 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-O 121.38 0.61 . . . . 74.42 111.162 -177.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -68.32 -38.25 81.36 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.846 1.795 . . . . 73.24 115.846 -173.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -144.61 160.83 40.53 Favored 'General case' 0 C--O 1.201 -1.476 0 N-CA-C 107.014 -1.476 . . . . 75.31 107.014 -178.624 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.1 t -137.24 127.42 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.657 0 O-C-N 124.173 0.921 . . . . 75.21 109.616 177.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.46 166.64 31.94 Favored Glycine 0 C--N 1.346 1.091 0 N-CA-C 110.469 -1.052 . . . . 74.34 110.469 175.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.411 HG22 ' H ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -66.36 -26.36 37.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 118.066 0.933 . . . . 73.05 112.567 178.651 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -106.39 16.62 24.5 Favored 'General case' 0 C--O 1.209 -1.074 0 CA-C-O 121.458 0.647 . . . . 73.43 112.179 -177.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.58 121.55 20.83 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.611 -0.681 . . . . 72.13 112.401 -176.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.76 125.31 28.49 Favored 'General case' 0 C--O 1.214 -0.774 0 CA-C-O 122.182 0.992 . . . . 41.32 109.414 -177.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -55.35 -38.51 68.88 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.767 -0.651 . . . . 71.21 111.431 -178.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -78.47 -22.47 47.51 Favored 'General case' 0 C--O 1.224 -0.27 0 N-CA-C 113.338 0.866 . . . . 72.34 113.338 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -78.35 -29.73 47.69 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.1 -1.074 . . . . 53.3 108.1 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 65.6 mt -76.59 14.29 0.82 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.893 -1.049 . . . . 74.1 111.238 173.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.19 2.22 74.45 Favored Glycine 0 C--O 1.215 -1.07 0 N-CA-C 116.109 1.204 . . . . 74.33 116.109 177.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.09 154.3 52.58 Favored Glycine 0 C--N 1.316 -0.561 0 CA-C-O 122.8 1.222 . . . . 55.11 114.05 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.7 m -137.62 163.67 30.67 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.834 -1.173 . . . . 75.44 107.834 -177.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 m -57.01 -36.16 70.09 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.06 0.763 . . . . 64.1 113.06 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.51 -35.4 77.43 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.368 0.604 . . . . 64.21 110.806 177.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.3 tp -72.14 -34.35 68.47 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.676 -0.49 . . . . 74.35 109.676 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.41 -30.8 65.25 Favored 'General case' 0 C--O 1.199 -1.594 0 CA-C-O 121.138 0.494 . . . . 73.14 112.122 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 91.4 mtp -64.26 -31.43 72.63 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 121.887 -0.508 . . . . 71.44 111.147 176.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -75.06 -33.73 61.74 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 121.244 -0.91 . . . . 72.1 109.185 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 53.8 tp -63.15 -45.79 90.25 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 108.592 -0.892 . . . . 73.44 108.592 176.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.35 -43.76 97.23 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 N-CA-C 109.347 -0.612 . . . . 73.12 109.347 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.38 -43.47 88.47 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 121.075 -0.25 . . . . 73.01 110.831 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.55 -34.08 77.1 Favored 'General case' 0 C--O 1.204 -1.297 0 N-CA-C 112.298 0.481 . . . . 75.54 112.298 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.2 mt -66.32 -30.38 49.66 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.246 0 N-CA-C 106.921 -1.511 . . . . 52.21 106.921 -177.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.41 ' HE ' ' CG ' ' A' ' 58' ' ' ASP . 4.5 mtp-105 -65.68 -31.38 72.36 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.237 -0.915 . . . . 64.24 111.214 178.584 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -78.66 -36.5 43.72 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.5 -1.296 . . . . 55.21 107.5 -174.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -87.56 -41.92 13.11 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 114.358 1.244 . . . . 71.03 114.358 -175.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 67.5 mt -112.62 -5.67 13.97 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 123.217 0.607 . . . . 75.1 110.984 -171.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.69 18.74 77.53 Favored Glycine 0 N--CA 1.466 0.682 0 N-CA-C 115.619 1.008 . . . . 70.22 115.619 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.9 m -135.25 146.71 29.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-N 118.22 1.01 . . . . 63.42 112.26 -177.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.41 ' CG ' ' HE ' ' A' ' 52' ' ' ARG . 2.2 m-20 -79.21 108.43 12.7 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 106.944 -1.502 . . . . 72.12 106.944 172.406 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -62.42 122.16 71.58 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 109.102 -0.703 . . . . 62.42 109.102 -178.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.02 118.43 5.31 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 120.174 0.582 . . . . 42.44 111.77 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.7 tt -59.56 -25.82 32.67 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 O-C-N 121.803 -0.561 . . . . 71.24 111.731 -177.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 46.8 ttm-85 -63.84 -36.81 85.13 Favored 'General case' 0 C--O 1.214 -0.782 0 O-C-N 121.417 -0.802 . . . . 74.52 111.521 175.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -70.33 -37.22 74.64 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.017 -0.364 . . . . 65.23 110.017 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 mt -62.75 -47.41 83.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.266 -0.425 . . . . 74.51 111.029 176.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -73.47 -25.03 60.29 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.609 0.596 . . . . 74.14 112.609 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.2 t -69.53 -32.86 71.94 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.238 0.542 . . . . 63.21 110.547 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.7 m -149.84 87.92 4.98 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.72 -0.474 . . . . 72.31 109.72 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -75.51 40.22 0.68 Allowed 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 122.126 1.884 . . . . 73.05 116.8 -174.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.7 p -127.11 153.21 76.65 Favored Pre-proline 0 CA--C 1.507 -0.704 0 N-CA-C 105.623 -1.991 . . . . 62.24 105.623 175.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.59 -39.45 44.23 Favored 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 115.778 -2.348 . . . . 74.41 115.001 -175.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.98 -31.81 68.47 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 122.324 1.059 . . . . 71.53 110.133 177.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.63 -46.5 92.02 Favored Glycine 0 C--O 1.216 -0.989 0 N-CA-C 109.683 -1.367 . . . . 65.31 109.683 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.0 t -63.93 -44.26 97.92 Favored 'Isoleucine or valine' 0 C--O 1.29 3.235 0 CA-C-N 118.186 0.993 . . . . 74.43 110.196 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.14 -49.6 75.42 Favored 'General case' 0 C--O 1.215 -0.725 0 O-C-N 120.318 -1.489 . . . . 75.52 111.499 178.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 38.3 ptt85 -71.92 -29.97 64.86 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.303 -0.873 . . . . 73.03 110.749 -178.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.38 -44.05 76.0 Favored 'General case' 0 CA--C 1.507 -0.685 0 C-N-CA 120.519 -0.472 . . . . 31.13 111.946 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.6 pp . . . . . 0 C--N 1.323 -0.571 0 N-CA-C 109.714 -0.476 . . . . 74.31 109.714 179.343 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.233 0 N-CA-C 112.151 0.426 . . . . 75.31 112.151 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -63.04 -42.36 99.72 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-O 120.707 0.289 . . . . 72.4 111.406 -170.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -69.16 -26.33 64.81 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 113.214 0.82 . . . . 65.51 113.214 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.6 t -71.12 -45.68 70.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 106.385 -1.709 . . . . 74.24 106.385 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.7 mt -66.39 -37.3 84.94 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.54 -0.755 . . . . 75.53 111.623 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.9 m -56.65 -44.13 81.03 Favored 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 120.864 -0.334 . . . . 75.5 110.131 174.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.06 -38.01 81.94 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 121.252 -0.905 . . . . 63.42 111.822 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.5 mt -64.1 -33.56 76.04 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 122.109 -0.369 . . . . 71.44 111.316 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -64.73 -47.48 78.12 Favored 'General case' 0 C--O 1.21 -1.013 0 N-CA-C 106.548 -1.649 . . . . 65.33 106.548 177.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.81 -44.08 86.11 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 111.849 0.315 . . . . 35.42 111.849 -177.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -58.21 -44.04 87.96 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 122.019 0.914 . . . . 75.44 112.046 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -84.06 -40.29 15.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 114.938 -1.028 . . . . 73.53 111.432 -171.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.9 mt -81.47 -22.37 38.13 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 122.566 0.347 . . . . 62.04 111.293 -175.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.59 25.4 70.16 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.445 -0.884 . . . . 63.13 112.528 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.7 m -100.02 151.72 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.666 0.746 . . . . 63.42 109.581 -178.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -67.28 -39.89 86.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.992 -0.549 . . . . 74.11 112.435 -174.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.8 mmt-85 -141.12 166.95 23.38 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-O 121.133 0.492 . . . . 74.3 111.08 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.7 t -145.3 127.41 9.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-N 114.253 -1.34 . . . . 72.11 108.35 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.5 170.06 45.99 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 109.484 -1.446 . . . . 43.42 109.484 175.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -74.88 -24.11 17.9 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.432 0 CA-C-O 122.992 1.377 . . . . 75.45 111.509 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -107.2 16.53 23.97 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 113.51 -1.677 . . . . 75.12 110.835 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.24 129.77 35.47 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.192 0.441 . . . . 73.42 112.192 -172.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.41 121.82 25.63 Favored 'General case' 0 C--O 1.212 -0.884 0 CA-C-O 121.811 0.815 . . . . 44.52 110.594 -177.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -51.76 -39.89 59.33 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.185 -0.916 . . . . 72.11 111.977 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -81.9 -20.26 39.14 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.269 0.84 . . . . 72.43 113.269 -177.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -77.18 -31.76 55.65 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 106.971 -1.492 . . . . 74.15 106.971 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.0 mt -76.96 16.64 0.52 Allowed 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 114.321 -1.309 . . . . 74.53 112.565 174.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.77 4.82 69.32 Favored Glycine 0 C--O 1.237 0.326 0 N-CA-C 115.487 0.955 . . . . 74.31 115.487 177.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.87 158.63 53.41 Favored Glycine 0 C--O 1.217 -0.93 0 CA-C-O 122.252 0.918 . . . . 71.12 114.177 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.3 t -144.85 167.19 23.2 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 114.881 -0.659 . . . . 74.41 109.284 -178.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.0 m -58.39 -30.68 67.01 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.138 0.494 . . . . 62.1 111.46 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.49 -39.81 92.35 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.028 -0.533 . . . . 51.42 110.312 177.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.3 mt -78.29 -25.65 46.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.599 -0.273 . . . . 74.2 111.244 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.61 -32.06 70.06 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 122.135 -0.353 . . . . 73.43 110.357 175.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.8 mmt -66.13 -32.03 73.24 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 120.891 0.377 . . . . 74.45 111.19 177.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -72.47 -37.23 68.54 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.49 -0.93 . . . . 74.44 108.49 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.0 tp -67.27 -44.45 79.32 Favored 'General case' 0 C--N 1.318 -0.79 0 O-C-N 124.536 1.147 . . . . 74.32 108.107 -178.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.7 mt -59.76 -38.29 75.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 109.27 -0.641 . . . . 75.45 109.27 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.99 -45.54 81.25 Favored 'General case' 0 C--O 1.199 -1.555 0 O-C-N 122.017 -0.427 . . . . 74.44 111.513 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -67.88 -33.5 74.85 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-O 120.915 0.388 . . . . 72.22 111.716 -177.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.4 mt -55.16 -36.59 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-O 121.278 0.561 . . . . 71.13 110.021 177.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -64.58 -30.37 71.4 Favored 'General case' 0 C--O 1.209 -1.032 0 O-C-N 121.809 -0.557 . . . . 64.43 112.144 -177.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -82.06 -38.58 24.7 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 107.575 -1.268 . . . . 73.31 107.575 -175.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -86.1 -36.82 19.38 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 114.514 1.302 . . . . 61.03 114.514 -173.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.1 mt -113.92 -6.73 13.19 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.861 -0.524 . . . . 72.5 109.904 -173.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.16 21.23 77.03 Favored Glycine 0 C--N 1.334 0.431 0 N-CA-C 116.15 1.22 . . . . 31.32 116.15 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.1 m -140.33 163.5 23.3 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.615 0 CA-C-N 117.713 0.756 . . . . 74.11 111.749 -175.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -86.65 141.89 28.63 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 107.713 -1.218 . . . . 72.35 107.713 172.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.0 tp -104.99 120.39 50.1 Favored Pre-proline 0 C--N 1.321 -0.642 0 O-C-N 121.998 -0.439 . . . . 75.24 110.246 174.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.88 136.33 72.89 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 N-CA-C 110.499 -0.616 . . . . 61.42 110.499 170.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.3 tt -65.72 -21.99 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 O-C-N 121.222 -0.924 . . . . 43.12 110.733 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.6 ttt85 -62.5 -32.16 73.02 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 121.749 -0.594 . . . . 74.15 110.543 176.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -45.13 94.88 Favored 'General case' 0 C--O 1.219 -0.548 0 O-C-N 123.266 0.354 . . . . 65.23 110.218 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.7 mt -67.15 -41.42 86.07 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 112.01 0.374 . . . . 73.4 112.01 178.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -69.76 -28.11 65.49 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.962 -0.695 . . . . 63.05 112.295 -178.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.3 m -82.92 -19.89 36.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.125 0.488 . . . . 61.44 110.762 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.6 m -151.36 85.25 5.0 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 109.717 -0.475 . . . . 73.12 109.717 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -78.66 18.26 1.0 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 N-CA-C 115.599 1.346 . . . . 73.01 115.599 -174.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.3 p -113.77 154.63 45.77 Favored Pre-proline 0 C--O 1.242 0.664 0 N-CA-C 108.694 -0.854 . . . . 75.25 108.694 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -68.89 -32.29 22.74 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 115.966 -2.223 . . . . 53.13 113.264 -175.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.11 -35.52 64.15 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 121.443 -0.785 . . . . 73.23 110.647 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -64.79 -50.73 56.96 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.496 -0.859 . . . . 50.32 110.956 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.3 p -65.44 -32.72 59.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 122.831 -0.217 . . . . 71.44 110.666 -177.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.11 -46.73 87.75 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 122.276 1.036 . . . . 62.25 111.571 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -75.05 -32.03 61.45 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 115.195 -0.911 . . . . 72.01 109.74 -177.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.25 -41.45 73.51 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.578 0.585 . . . . 53.4 112.578 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.0 pp . . . . . 0 C--N 1.321 -0.637 0 O-C-N 122.329 -0.232 . . . . 60.14 111.109 -177.716 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.221 -0.417 0 N-CA-C 112.673 0.62 . . . . 63.23 112.673 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -63.36 -36.79 84.88 Favored 'General case' 0 CA--C 1.515 -0.368 0 O-C-N 121.832 -0.543 . . . . 73.13 110.154 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -66.54 -39.9 88.82 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.025 -0.534 . . . . 74.11 111.077 -178.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.5 t -65.59 -52.77 46.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 N-CA-C 107.107 -1.442 . . . . 63.14 107.107 178.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.4 mt -58.28 -41.9 85.38 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.626 0.602 . . . . 73.54 112.626 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.66 -44.24 90.11 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 112.327 0.492 . . . . 72.55 112.327 175.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.2 -40.77 77.84 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.509 -0.476 . . . . 65.55 111.346 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.5 mt -67.15 -31.04 71.19 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 120.353 -0.539 . . . . 55.52 111.396 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -57.67 -45.68 85.26 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 108.08 -1.081 . . . . 73.42 108.08 173.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.54 93.33 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 112.557 0.577 . . . . 43.33 112.557 -177.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -65.07 -36.72 85.24 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 121.775 0.798 . . . . 63.24 112.445 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.6 mm -86.43 -37.86 11.94 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 N-CA-C 113.23 0.826 . . . . 74.5 113.23 -173.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.9 mt -87.89 -21.54 24.91 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.206 -0.452 . . . . 54.44 111.781 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.93 30.56 59.18 Favored Glycine 0 C--O 1.237 0.301 0 C-N-CA 121.117 -0.563 . . . . 71.21 112.269 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -104.35 151.27 6.96 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 CA-C-O 121.839 0.828 . . . . 45.12 110.783 -178.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -63.01 -30.55 71.69 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 115.849 1.796 . . . . 70.3 115.849 -173.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -154.67 162.47 41.11 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 107.914 -1.143 . . . . 74.53 107.914 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.4 t -136.94 134.43 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 N-CA-C 107.874 -1.158 . . . . 64.23 107.874 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.01 164.07 33.66 Favored Glycine 0 N--CA 1.465 0.602 0 N-CA-C 108.591 -1.803 . . . . 74.11 108.591 173.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.5 m -69.69 -21.44 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 O-C-N 120.541 -1.564 . . . . 72.42 110.823 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -109.6 17.28 21.5 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-O 121.196 0.522 . . . . 72.25 110.049 -176.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.96 125.14 30.42 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.966 -0.753 . . . . 65.14 108.966 -173.257 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.05 130.87 35.98 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.107 0.956 . . . . 60.32 111.359 -174.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -54.42 -40.39 68.25 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.103 -0.953 . . . . 74.32 111.728 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -79.34 -20.28 48.23 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.145 0.794 . . . . 72.32 113.145 -178.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -76.09 -35.33 59.41 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 107.053 -1.462 . . . . 74.4 107.053 -179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.1 mt -78.94 15.55 1.08 Allowed 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 113.987 -1.46 . . . . 72.41 112.116 176.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.32 12.56 59.73 Favored Glycine 0 CA--C 1.519 0.332 0 N-CA-C 115.682 1.033 . . . . 72.32 115.682 176.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.63 165.44 54.36 Favored Glycine 0 C--N 1.319 -0.379 0 CA-C-O 122.332 0.962 . . . . 72.3 114.698 -178.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 85.3 p -150.15 165.89 31.49 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.657 -0.868 . . . . 50.31 108.657 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 m -58.4 -34.71 71.03 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-O 121.606 0.717 . . . . 73.23 111.028 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.17 -44.1 76.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.663 0.744 . . . . 53.51 111.353 178.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.3 tp -66.24 -36.72 83.74 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.682 -0.69 . . . . 70.13 109.581 -179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.3 -29.24 63.74 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-N 115.554 -0.748 . . . . 61.24 112.498 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 91.8 mtp -59.43 -35.28 73.72 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 121.917 -0.489 . . . . 75.44 110.801 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.87 -34.55 62.27 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-O 121.223 0.535 . . . . 73.45 110.092 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.3 tp -64.04 -45.54 88.41 Favored 'General case' 0 C--O 1.212 -0.876 0 N-CA-C 107.647 -1.242 . . . . 74.11 107.647 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.17 -41.11 88.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.567 -0.531 . . . . 75.12 109.567 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.0 -42.55 99.88 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.574 -0.285 . . . . 43.14 110.454 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -63.34 -37.96 89.3 Favored 'General case' 0 C--O 1.185 -2.306 0 CA-C-O 121.997 0.903 . . . . 74.12 110.682 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.4 mt -61.44 -30.84 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.387 -3.58 0 CA-C-O 122.878 1.323 . . . . 71.32 110.393 -176.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -65.5 -29.24 69.86 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 115.244 -0.889 . . . . 60.31 113.149 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -77.59 -37.99 49.21 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 108.582 -0.896 . . . . 75.33 108.582 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -91.52 -41.36 10.85 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 115.056 1.502 . . . . 74.32 115.056 -171.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.7 mt -103.22 -2.78 26.69 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 121.116 -0.99 . . . . 73.44 109.484 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.53 16.95 70.24 Favored Glycine 0 C--N 1.335 0.493 0 N-CA-C 116.715 1.446 . . . . 55.44 116.715 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.4 m -139.69 156.51 26.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.249 0.547 . . . . 74.33 110.971 -174.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -86.37 110.44 19.69 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.453 -0.573 . . . . 62.03 109.453 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -65.76 120.08 65.89 Favored Pre-proline 0 CA--C 1.543 0.71 0 CA-C-O 121.192 0.52 . . . . 71.4 111.454 -175.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -62.78 116.42 3.53 Favored 'Trans proline' 0 C--N 1.346 0.427 0 N-CA-C 112.751 0.25 . . . . 71.55 112.751 177.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.0 tt -56.46 -25.96 21.81 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 N-CA-C 112.741 0.645 . . . . 71.34 112.741 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -60.85 -42.47 97.87 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.041 0.756 . . . . 74.43 113.041 172.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.88 -39.13 79.95 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.654 -0.869 . . . . 72.45 108.654 -178.104 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -44.92 93.06 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-N 116.287 -0.415 . . . . 61.43 111.174 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -75.27 -25.13 57.77 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 121.016 -1.053 . . . . 72.33 112.878 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 59.6 m -75.38 -26.09 58.21 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.815 0.817 . . . . 72.14 110.657 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.7 m -147.03 79.94 9.71 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 115.327 -0.851 . . . . 74.11 109.957 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -77.65 40.83 0.89 Allowed 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.397 2.065 . . . . 63.14 116.945 -173.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.6 p -124.95 157.41 66.74 Favored Pre-proline 0 N--CA 1.476 0.829 0 N-CA-C 104.562 -2.384 . . . . 70.22 104.562 175.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -67.7 -34.0 26.13 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 114.71 -3.06 . . . . 72.44 113.5 -176.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.99 -35.58 69.53 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 120.779 -1.201 . . . . 71.31 110.245 174.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.42 -46.49 94.25 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 109.852 -1.299 . . . . 73.03 109.852 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 66.4 t -60.72 -40.45 84.92 Favored 'Isoleucine or valine' 0 C--O 1.273 2.293 0 CA-C-N 117.787 0.793 . . . . 74.32 109.535 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.39 98.78 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 114.014 1.116 . . . . 75.34 114.014 178.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -74.24 -35.49 63.84 Favored 'General case' 0 C--N 1.281 -2.386 0 N-CA-C 114.988 1.477 . . . . 60.22 114.988 178.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.03 -45.59 91.57 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 109.927 -0.398 . . . . 72.4 109.927 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 CA--C 1.54 0.56 0 C-N-CA 120.994 -0.283 . . . . 71.12 110.561 -178.937 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.22 -0.47 0 N-CA-C 111.693 0.257 . . . . 50.21 111.693 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -64.19 -35.56 81.2 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.898 -0.502 . . . . 74.03 111.318 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -61.49 -44.27 97.39 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.536 0.684 . . . . 72.52 110.881 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.1 t -65.4 -50.13 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.845 0 N-CA-C 107.095 -1.446 . . . . 65.33 107.095 -176.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.6 mt -61.22 -40.1 92.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.189 -0.46 . . . . 53.34 111.204 -177.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.1 m -59.46 -43.18 93.25 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.731 -0.605 . . . . 74.13 112.275 175.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.25 -37.56 74.97 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.396 0.517 . . . . 65.51 112.396 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.0 mt -63.41 -34.83 78.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.052 0.453 . . . . 72.35 111.305 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -61.11 -46.8 89.14 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 109.446 -0.576 . . . . 70.41 109.446 176.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.7 91.84 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 113.461 0.911 . . . . 60.45 113.461 -175.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -60.33 -47.97 83.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.867 0.842 . . . . 75.25 110.822 -177.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.7 mt -83.2 -38.15 14.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.211 -0.904 . . . . 65.24 112.793 -169.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.2 mt -81.09 -20.05 42.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.562 -0.29 . . . . 75.44 110.874 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.61 29.49 72.84 Favored Glycine 0 N--CA 1.461 0.302 0 C-N-CA 121.245 -0.502 . . . . 60.21 112.935 178.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.5 m -97.95 155.27 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-O 121.507 0.67 . . . . 73.32 110.726 -177.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -62.95 -37.46 87.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.936 -1.029 . . . . 44.55 112.33 -174.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -153.4 161.67 42.06 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.963 -0.754 . . . . 61.42 108.963 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.9 t -130.96 127.9 61.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 N-CA-C 107.892 -1.151 . . . . 53.45 107.892 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.23 163.12 35.69 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 108.727 -1.749 . . . . 54.4 108.727 173.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.38 -25.55 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 O-C-N 120.633 -1.51 . . . . 74.13 110.787 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -104.6 14.62 29.55 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.493 -0.776 . . . . 63.25 111.451 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.45 126.0 30.65 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 109.416 -0.586 . . . . 75.21 109.416 -174.278 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.94 135.3 36.91 Favored 'General case' 0 C--O 1.213 -0.816 0 O-C-N 121.306 -0.871 . . . . 70.25 111.026 -176.072 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -54.13 -35.44 62.19 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.26 -0.882 . . . . 73.04 111.726 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -85.09 -18.38 34.45 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.851 0.686 . . . . 51.21 112.851 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -78.31 -34.59 48.57 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 106.224 -1.769 . . . . 73.14 106.224 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.1 mt -77.42 12.83 1.39 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 113.731 -1.577 . . . . 63.32 111.461 174.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.85 5.98 67.83 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 117.908 1.923 . . . . 63.24 117.908 174.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.09 109.85 3.49 Favored Glycine 0 N--CA 1.463 0.499 0 N-CA-C 118.354 2.102 . . . . 74.43 118.354 -175.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.8 m -78.16 161.93 26.99 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 122.082 -0.658 . . . . 70.3 111.515 175.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -57.24 -25.86 59.82 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 114.759 1.392 . . . . 61.24 114.759 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.57 -32.9 70.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.433 -0.792 . . . . 73.44 110.75 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.8 tp -73.71 -30.0 62.59 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.77 -0.65 . . . . 52.44 109.847 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.42 -31.19 61.67 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.012 0.745 . . . . 73.45 113.012 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 19.3 mmt -62.08 -29.19 70.14 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-O 121.649 0.738 . . . . 73.33 111.756 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -76.99 -32.44 57.21 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.027 -1.101 . . . . 74.22 108.027 -177.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 66.5 tp -69.38 -43.47 73.48 Favored 'General case' 0 C--O 1.213 -0.855 0 N-CA-C 108.752 -0.832 . . . . 65.04 108.752 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.6 mt -61.56 -39.3 82.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.358 -0.608 . . . . 75.2 109.358 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.52 -42.22 95.91 Favored 'General case' 0 C--N 1.313 -0.993 0 O-C-N 122.322 -0.236 . . . . 63.41 111.275 176.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -36.89 82.41 Favored 'General case' 0 C--O 1.191 -2.002 0 CA-C-O 121.842 0.829 . . . . 72.05 111.922 177.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 57.9 mt -60.51 -31.18 48.19 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.751 0 CA-C-O 122.96 1.362 . . . . 74.12 110.874 -176.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.4 mtt-85 -65.16 -31.35 72.5 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 113.362 0.875 . . . . 75.42 113.362 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -75.71 -37.72 59.2 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 109.373 -0.602 . . . . 73.31 109.373 -176.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -86.76 -50.62 6.63 Favored 'General case' 0 C--O 1.246 0.891 0 N-CA-C 114.332 1.234 . . . . 72.42 114.332 -175.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 47.9 mt -100.34 -3.62 30.83 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.667 -1.271 . . . . 73.23 110.865 -172.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.49 18.7 73.87 Favored Glycine 0 CA--C 1.503 -0.666 0 N-CA-C 116.55 1.38 . . . . 64.21 116.55 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.4 m -142.59 159.84 19.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 117.513 0.656 . . . . 72.13 109.249 -173.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -98.25 107.22 19.63 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 122.24 1.019 . . . . 74.41 109.431 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 tp -65.36 125.77 90.13 Favored Pre-proline 0 C--O 1.237 0.436 0 C-N-CA 119.712 -0.795 . . . . 52.42 110.342 -178.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -60.11 137.07 73.19 Favored 'Trans proline' 0 N--CA 1.464 -0.211 0 C-N-CA 118.508 -0.528 . . . . 63.13 111.609 173.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.1 tt -64.25 -20.91 27.86 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 CA-C-O 121.888 0.852 . . . . 72.34 108.922 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -64.66 -37.98 89.42 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.534 -0.729 . . . . 74.03 110.892 174.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -42.67 95.25 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 108.494 -0.928 . . . . 72.5 108.494 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.3 tp -63.04 -47.56 82.48 Favored 'General case' 0 C--O 1.209 -1.03 0 CA-C-N 115.943 -0.571 . . . . 74.22 110.996 178.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 -73.98 -20.01 60.48 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.84 -0.537 . . . . 73.35 111.924 -174.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 70.7 m -72.21 -28.95 63.51 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.593 0.711 . . . . 70.23 109.997 178.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.2 p -157.75 90.44 2.33 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.396 -0.82 . . . . 62.21 109.059 -177.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -79.11 34.88 0.53 Allowed 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 121.961 1.774 . . . . 74.2 115.891 -173.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.5 p -122.58 149.56 55.89 Favored Pre-proline 0 CA--C 1.497 -1.095 0 N-CA-C 105.233 -2.136 . . . . 71.43 105.233 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -58.28 -41.23 68.57 Favored 'Trans proline' 0 CA--C 1.546 1.083 0 C-N-CA 117.27 -1.353 . . . . 72.2 115.017 -178.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.12 -35.71 78.56 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 120.852 -1.155 . . . . 60.34 110.614 176.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.39 -48.49 84.89 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.825 -0.91 . . . . 53.55 110.825 178.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 76.4 t -58.32 -42.12 83.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 O-C-N 122.305 -0.526 . . . . 55.51 110.038 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.88 -44.49 86.71 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-O 120.647 0.261 . . . . 64.54 111.515 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 53.7 mtp85 -69.6 -38.17 77.17 Favored 'General case' 0 C--O 1.245 0.864 0 C-N-CA 120.105 -0.638 . . . . 74.12 111.767 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.97 -40.53 87.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.783 0.325 . . . . 63.43 111.431 -176.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 C--N 1.316 -0.886 0 N-CA-C 109.636 -0.505 . . . . 52.35 109.636 179.882 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.467 0.399 0 N-CA-C 111.705 0.261 . . . . 64.43 111.705 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -57.31 -39.18 75.28 Favored 'General case' 0 C--O 1.214 -0.801 0 C-N-CA 120.854 -0.339 . . . . 74.4 111.105 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -65.34 -42.84 92.48 Favored 'General case' 0 CA--C 1.5 -0.951 0 CA-C-N 115.529 -0.76 . . . . 74.31 112.182 -174.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.5 t -66.77 -45.43 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 N-CA-C 108.324 -0.991 . . . . 75.34 108.324 -177.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.86 -38.17 90.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.528 0.68 . . . . 71.23 112.076 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 47.2 m -59.89 -50.19 74.76 Favored 'General case' 0 C--O 1.21 -1.005 0 CA-C-N 115.929 -0.578 . . . . 62.3 109.795 175.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.85 -33.81 76.89 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 118.039 -1.464 . . . . 33.42 110.374 -175.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mp -68.32 -32.43 72.56 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 123.747 0.819 . . . . 71.0 111.567 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -62.64 -49.26 75.89 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 107.806 -1.183 . . . . 75.45 107.806 175.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.86 -32.03 73.19 Favored 'General case' 0 CA--C 1.563 1.459 0 C-N-CA 119.468 -0.893 . . . . 71.04 111.03 -176.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -67.31 -37.65 83.68 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 125.072 1.482 . . . . 75.21 110.32 -177.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.5 mm -85.33 -39.39 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.828 0 CA-C-N 114.199 -1.364 . . . . 63.34 112.711 -173.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.5 mt -80.05 -23.3 41.49 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 114.906 -1.043 . . . . 63.14 111.761 -177.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.07 33.53 44.98 Favored Glycine 0 C--O 1.228 -0.223 0 C-N-CA 120.546 -0.835 . . . . 41.22 112.858 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.2 m -111.27 154.27 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 109.275 -0.639 . . . . 64.42 109.275 -178.012 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.44 -38.32 87.14 Favored 'General case' 0 C--O 1.269 2.113 0 CA-C-O 120.911 0.386 . . . . 71.34 111.771 -174.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -149.51 164.83 33.98 Favored 'General case' 0 CA--C 1.486 -1.512 0 N-CA-C 105.338 -2.097 . . . . 73.51 105.338 -176.187 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 12.1 p -154.26 139.45 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.394 -3.248 0 N-CA-C 105.786 -1.931 . . . . 45.22 105.786 -173.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.2 170.13 50.56 Favored Glycine 0 C--O 1.221 -0.701 0 O-C-N 120.857 -1.152 . . . . 72.03 112.718 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -76.29 -17.71 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-O 122.965 1.364 . . . . 64.44 108.333 179.073 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -117.39 18.24 14.42 Favored 'General case' 0 C--O 1.194 -1.854 0 CA-C-N 114.769 -1.105 . . . . 74.3 110.263 -177.183 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -74.54 128.94 36.79 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.732 -0.667 . . . . 75.15 111.37 -174.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.16 119.05 21.72 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.379 -0.6 . . . . 64.14 109.379 -178.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -47.79 -41.63 23.94 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.789 0.662 . . . . 64.33 112.789 -178.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -73.54 -18.47 61.08 Favored 'General case' 0 C--O 1.221 -0.416 0 N-CA-C 115.098 1.518 . . . . 72.1 115.098 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -77.47 -26.51 51.43 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 108.748 -0.834 . . . . 62.02 108.748 -176.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -86.21 19.39 2.71 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.992 -0.549 . . . . 73.35 110.095 173.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.74 5.67 86.24 Favored Glycine 0 C--O 1.238 0.371 0 O-C-N 121.912 -0.492 . . . . 73.5 113.591 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.3 130.92 49.47 Favored Glycine 0 C--O 1.226 -0.386 0 CA-C-O 122.263 0.924 . . . . 44.22 112.635 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.8 m -128.48 169.64 14.1 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.365 -0.976 . . . . 45.1 108.365 -176.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.7 m -56.79 -31.76 64.97 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.528 0.936 . . . . 61.11 113.528 -178.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.12 -42.21 89.5 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.115 0.483 . . . . 44.02 110.491 176.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.4 mt -70.52 -29.83 66.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.148 -0.315 . . . . 64.31 110.148 177.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.19 -36.26 83.04 Favored 'General case' 0 C--O 1.2 -1.55 0 CA-C-O 121.196 0.522 . . . . 64.24 110.557 176.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.5 mmt -68.29 -38.17 81.4 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.659 -0.651 . . . . 65.4 110.473 176.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.1 -37.53 87.77 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 121.589 -0.694 . . . . 74.35 110.53 175.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.5 tp -62.28 -48.06 81.59 Favored 'General case' 0 C--O 1.209 -1.079 0 CA-C-O 121.263 0.554 . . . . 74.12 110.003 178.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 56.1 mt -59.79 -39.1 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.377 -0.374 . . . . 61.42 110.194 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.94 -41.57 92.13 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.509 -0.477 . . . . 63.23 109.96 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.2 tpt85 -71.71 -36.32 70.48 Favored 'General case' 0 C--O 1.255 1.346 0 CA-C-O 118.801 -0.619 . . . . 71.41 112.44 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.507 HD13 ' HG ' ' A' ' 59' ' ' LEU . 96.8 mt -58.85 -35.42 56.06 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.519 0 CA-C-N 119.204 0.911 . . . . 62.35 110.527 175.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -63.36 -31.94 73.23 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 122.001 -0.437 . . . . 62.01 111.765 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -74.68 -32.42 62.21 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 122.264 1.03 . . . . 64.33 108.723 -176.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -89.9 -52.68 4.85 Favored 'General case' 0 C--O 1.212 -0.885 0 N-CA-C 115.824 1.787 . . . . 72.42 115.824 -174.092 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 40.8 mt -96.62 -8.71 30.97 Favored 'General case' 0 C--O 1.211 -0.947 0 O-C-N 118.945 -2.347 . . . . 51.4 109.423 -172.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.85 23.49 77.9 Favored Glycine 0 N--CA 1.448 -0.534 0 O-C-N 125.645 1.841 . . . . 62.21 114.396 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.9 p -143.65 141.99 25.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 113.048 0.759 . . . . 61.22 113.048 -172.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.96 89.69 1.92 Allowed 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 109.3 -0.63 . . . . 73.45 109.3 175.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.507 ' HG ' HD13 ' A' ' 51' ' ' ILE . 3.0 tm? -69.13 125.06 91.66 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 108.566 -0.902 . . . . 74.53 108.566 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 59' ' ' LEU . 25.4 Cg_exo -66.49 141.56 61.75 Favored 'Trans proline' 0 CA--C 1.517 -0.346 0 C-N-CA 120.799 0.999 . . . . 71.41 113.685 -177.514 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.9 tt -63.98 -21.77 29.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 121.452 -0.78 . . . . 65.54 109.194 173.12 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 32.7 mtm180 -60.47 -37.89 82.45 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.895 -0.503 . . . . 75.11 111.114 175.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -40.02 82.75 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 108.993 -0.743 . . . . 72.04 108.993 -177.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 35.5 mt -65.03 -42.66 94.16 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 116.27 -0.423 . . . . 63.11 111.168 178.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -70.08 -29.76 66.82 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.669 -0.413 . . . . 73.22 111.831 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.7 m -71.74 -30.46 65.64 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.058 0.456 . . . . 54.25 111.173 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.8 m -154.83 95.04 2.65 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 109.189 -0.671 . . . . 44.03 109.189 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -78.83 32.89 0.46 Allowed 'Trans proline' 0 CA--C 1.536 0.622 0 N-CA-C 116.03 1.512 . . . . 52.34 116.03 -174.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.4 p -125.26 153.14 71.88 Favored Pre-proline 0 N--CA 1.474 0.755 0 N-CA-C 107.192 -1.41 . . . . 75.41 107.192 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -67.71 -33.06 28.82 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 114.473 -3.218 . . . . 74.1 113.932 -173.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.87 -29.48 58.54 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.652 0.739 . . . . 74.44 109.596 174.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.3 -41.32 94.69 Favored Glycine 0 C--O 1.225 -0.407 0 N-CA-C 111.015 -0.834 . . . . 41.21 111.015 178.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.3 t -59.89 -42.25 88.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 N-CA-C 110.055 -0.35 . . . . 75.23 110.055 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.33 -41.27 79.67 Favored 'General case' 0 CA--C 1.564 1.507 0 CA-C-O 121.658 0.742 . . . . 72.33 111.088 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -72.34 -38.28 68.66 Favored 'General case' 0 C--O 1.223 -0.333 0 O-C-N 120.678 -1.264 . . . . 60.41 110.497 177.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.63 -41.76 87.84 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.928 0.344 . . . . 74.12 111.928 -176.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.2 pp . . . . . 0 C--N 1.321 -0.659 0 N-CA-C 110.234 -0.284 . . . . 64.33 110.234 178.481 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.5 m . . . . . 0 CA--C 1.532 0.273 0 N-CA-C 112.333 0.494 . . . . 64.13 112.333 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.53 -44.1 84.87 Favored 'General case' 0 C--O 1.214 -0.813 0 N-CA-C 112.107 0.41 . . . . 72.43 112.107 -177.098 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -62.56 -33.46 74.98 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.48 0.548 . . . . 72.34 112.48 -176.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.2 t -72.44 -45.05 61.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 108.295 -1.002 . . . . 74.25 108.295 -178.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.2 mt -66.83 -40.87 88.15 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-N 115.418 -0.81 . . . . 70.21 111.897 -178.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t -62.4 -46.62 87.77 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.101 -1.074 . . . . 63.1 108.101 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.09 -41.82 97.17 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 119.38 -0.928 . . . . 73.35 111.115 -179.108 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 mp -61.0 -32.09 71.68 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.25 0.463 . . . . 65.11 112.25 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -63.06 -53.28 56.18 Favored 'General case' 0 C--O 1.21 -1.014 0 N-CA-C 108.943 -0.762 . . . . 72.1 108.943 177.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.02 -46.65 87.68 Favored 'General case' 0 CA--C 1.514 -0.41 0 O-C-N 122.381 -0.199 . . . . 64.45 111.371 -175.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.65 -36.48 83.96 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 113.115 0.783 . . . . 73.2 113.115 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.5 mt -83.29 -37.73 13.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 O-C-N 121.893 -0.505 . . . . 73.1 111.739 -178.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.8 mt -75.93 -25.08 55.63 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 122.341 0.256 . . . . 72.12 110.91 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.51 31.84 49.13 Favored Glycine 0 C--O 1.223 -0.559 0 C-N-CA 121.256 -0.497 . . . . 70.21 112.218 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.9 m -108.22 152.16 10.15 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.921 0 N-CA-C 109.644 -0.502 . . . . 75.01 109.644 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -62.15 -43.36 99.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.429 0.633 . . . . 74.41 112.421 -175.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.7 mtm180 -146.1 162.96 36.79 Favored 'General case' 0 CA--C 1.503 -0.827 0 N-CA-C 107.474 -1.306 . . . . 72.4 107.474 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.2 p -146.87 145.15 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.148 0 N-CA-C 106.125 -1.806 . . . . 74.34 106.125 -177.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.19 167.05 32.58 Favored Glycine 0 C--N 1.316 -0.55 0 O-C-N 121.95 -0.469 . . . . 63.41 112.873 177.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.8 m -74.74 -15.6 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 O-C-N 121.285 -1.126 . . . . 74.05 109.77 176.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -112.18 15.78 20.36 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.644 -1.162 . . . . 73.41 110.161 -177.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -83.37 122.1 28.03 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.112 -0.495 . . . . 72.55 111.269 -174.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.01 131.85 40.93 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.501 -0.926 . . . . 74.34 108.501 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -53.99 -36.5 63.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.349 0.595 . . . . 71.51 112.268 -178.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -81.13 -13.73 58.39 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.627 0.973 . . . . 73.12 113.627 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -74.5 -33.38 62.81 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.263 0.938 . . . . 70.44 109.318 -177.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -78.68 12.64 1.98 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.441 -0.8 . . . . 74.44 109.83 174.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.17 15.88 73.36 Favored Glycine 0 C--O 1.224 -0.505 0 C-N-CA 121.098 -0.572 . . . . 33.33 113.572 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.8 109.41 2.84 Favored Glycine 0 CA--C 1.524 0.609 0 C-N-CA 121.595 -0.336 . . . . 71.13 113.119 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.4 t -64.82 152.64 42.28 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 122.626 0.37 . . . . 72.11 111.506 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 m -62.71 -27.23 69.11 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.135 0.493 . . . . 51.42 110.697 175.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.93 -37.6 70.01 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 121.377 0.608 . . . . 65.3 110.094 175.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 42.2 tp -67.45 -30.2 69.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.067 -0.395 . . . . 62.24 110.451 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.23 -29.88 67.85 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-O 121.031 0.443 . . . . 64.24 111.762 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 62.9 mtt -65.04 -30.34 71.3 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 121.817 -0.552 . . . . 73.41 110.798 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -67.73 -38.93 84.2 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.669 -0.644 . . . . 74.21 110.221 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.9 tp -64.73 -46.49 82.04 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-N 115.574 -0.739 . . . . 65.21 109.368 -178.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.7 mt -61.75 -39.68 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 N-CA-C 109.79 -0.448 . . . . 74.34 109.79 178.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.81 -44.67 84.94 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.021 -0.424 . . . . 53.2 111.886 178.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -33.07 74.88 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.711 -0.618 . . . . 74.21 111.677 -178.108 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.5 mt -60.4 -33.55 54.54 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.401 0 O-C-N 123.453 0.47 . . . . 62.21 110.109 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -63.45 -32.31 73.71 Favored 'General case' 0 CA--C 1.499 -0.995 0 O-C-N 122.078 -0.389 . . . . 73.31 111.917 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -81.53 -38.09 26.76 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 108.152 -1.055 . . . . 65.03 108.152 -177.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -85.64 -37.94 18.92 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.063 0.764 . . . . 75.32 113.063 -170.476 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.5 mt -112.26 -6.07 14.11 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.207 0.527 . . . . 73.24 110.023 -174.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.27 23.91 76.17 Favored Glycine 0 C--O 1.222 -0.602 0 C-N-CA 120.229 -0.986 . . . . 73.3 113.888 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.6 p -138.19 144.4 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-N 118.113 0.956 . . . . 75.13 111.354 -174.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -77.19 116.38 17.77 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 108.68 -0.859 . . . . 73.3 108.68 174.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -75.83 118.39 70.68 Favored Pre-proline 0 C--N 1.329 -0.301 0 N-CA-C 108.723 -0.843 . . . . 65.41 108.723 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -64.78 129.69 24.13 Favored 'Trans proline' 0 N--CA 1.478 0.566 0 C-N-CA 118.276 -0.683 . . . . 71.24 110.728 177.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.8 tt -62.4 -23.22 31.62 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 O-C-N 120.735 -1.228 . . . . 74.43 111.495 -178.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -66.57 -39.31 88.4 Favored 'General case' 0 C--O 1.22 -0.476 0 O-C-N 121.897 -0.502 . . . . 72.34 111.787 173.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.38 -39.3 86.78 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 109.448 -0.575 . . . . 75.3 109.448 177.089 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 tp -70.39 -49.54 48.0 Favored 'General case' 0 C--O 1.215 -0.731 0 N-CA-C 112.614 0.598 . . . . 45.43 112.614 178.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -71.82 -30.01 65.04 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.734 0.642 . . . . 63.54 112.734 -174.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.9 t -76.1 -22.65 55.31 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 121.796 -0.565 . . . . 72.24 111.495 -178.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.8 p -153.12 79.27 5.67 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 108.372 -0.973 . . . . 62.31 108.372 -178.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -78.73 23.9 0.6 Allowed 'Trans proline' 0 CA--C 1.533 0.454 0 N-CA-C 117.376 2.029 . . . . 73.41 117.376 -170.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 55.5 p -106.67 154.03 40.31 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 106.874 -1.528 . . . . 74.25 106.874 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -67.93 -31.26 31.43 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 113.306 -3.996 . . . . 65.4 114.042 -173.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.59 -28.92 61.12 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.153 -0.619 . . . . 74.02 109.376 175.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.62 -50.8 40.29 Favored Glycine 0 C--O 1.226 -0.377 0 N-CA-C 109.709 -1.356 . . . . 54.31 109.709 179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.0 t -59.46 -35.94 61.66 Favored 'Isoleucine or valine' 0 C--O 1.257 1.488 0 N-CA-C 108.564 -0.902 . . . . 71.01 108.564 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.3 -49.07 73.23 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 112.823 0.675 . . . . 54.53 112.823 -177.064 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.9 ptt-85 -71.15 -33.56 70.16 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.702 -0.623 . . . . 73.23 112.144 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.16 -39.27 82.64 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.037 -0.529 . . . . 55.54 111.308 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 C--N 1.327 -0.374 0 O-C-N 121.922 -0.486 . . . . 55.24 110.503 179.754 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.227 -0.086 0 N-CA-C 112.266 0.469 . . . . 65.54 112.266 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.412 ' HG2' ' HA ' ' A' ' 71' ' ' ALA . 64.3 mt-10 -61.41 -40.39 94.22 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.352 0.501 . . . . 63.43 112.352 -173.229 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -65.53 -32.55 74.21 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.484 0.55 . . . . 74.54 112.484 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 75.4 t -75.24 -44.93 42.49 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 N-CA-C 108.614 -0.884 . . . . 72.11 108.614 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.0 mt -62.55 -38.92 91.9 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 116.253 -0.431 . . . . 73.33 110.586 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 17.7 t -58.72 -49.37 77.86 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.876 -0.787 . . . . 44.53 108.876 175.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.26 -36.95 85.69 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 113.054 0.761 . . . . 32.22 113.054 -178.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.0 -28.05 69.24 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 121.773 -0.58 . . . . 75.32 111.598 177.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -64.05 -47.49 79.97 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 119.491 1.041 . . . . 73.11 108.52 178.029 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.11 -33.67 75.95 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.365 0.506 . . . . 33.42 112.365 -177.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -61.84 -34.03 75.23 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.179 0.514 . . . . 74.15 112.038 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.3 mm -89.75 -36.69 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.357 0 CA-C-N 114.531 -1.213 . . . . 73.21 112.425 -174.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.2 mt -80.19 -27.09 38.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.855 -1.066 . . . . 73.24 112.575 -177.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.78 31.27 62.62 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 120.45 -0.881 . . . . 64.4 112.714 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.1 m -103.9 158.36 5.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.308 -0.627 . . . . 75.22 109.308 -178.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -61.49 -47.52 85.26 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.983 0.896 . . . . 75.11 111.223 -178.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -144.67 161.99 37.79 Favored 'General case' 0 CA--C 1.476 -1.879 0 CA-C-N 114.95 -1.023 . . . . 73.12 109.083 -178.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.4 p -147.4 145.87 18.74 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.118 0 N-CA-C 103.398 -2.816 . . . . 62.15 103.398 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.39 167.51 21.36 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.329 -0.708 . . . . 31.22 111.329 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -22.27 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 CA-C-O 122.163 0.982 . . . . 72.45 110.45 179.3 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -103.85 14.26 31.22 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 113.759 -1.564 . . . . 73.13 111.744 -177.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.89 130.89 35.27 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 114.401 1.26 . . . . 75.4 114.401 -171.73 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.8 115.79 16.9 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 120.786 -0.366 . . . . 73.0 110.323 -178.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -47.56 -44.51 26.18 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 114.091 1.145 . . . . 72.12 114.091 -177.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -73.96 -17.64 60.98 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 114.074 1.139 . . . . 75.4 114.074 -175.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -73.69 -34.08 64.7 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.524 0.678 . . . . 64.13 109.386 -178.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.86 17.3 1.21 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.302 -0.863 . . . . 75.25 110.753 176.068 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.91 18.62 69.52 Favored Glycine 0 C--O 1.236 0.271 0 C-N-CA 121.032 -0.604 . . . . 74.32 112.886 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.84 87.63 0.29 Allowed Glycine 0 CA--C 1.516 0.142 0 CA-C-O 122.213 0.896 . . . . 73.32 113.925 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.0 p -71.71 166.26 22.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.275 0.559 . . . . 42.24 110.872 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.2 p -61.18 -28.96 69.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.018 0.437 . . . . 74.14 110.799 176.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.41 -42.81 87.23 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.374 -0.375 . . . . 60.32 110.224 177.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.9 mt -68.05 -35.68 78.63 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.538 -0.171 . . . . 61.44 110.538 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.73 -37.34 70.84 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.077 0.399 . . . . 75.24 112.077 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.5 mmt -62.78 -33.02 74.31 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 112.228 0.455 . . . . 75.34 112.228 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -73.87 -33.61 64.14 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.813 -0.554 . . . . 74.12 109.641 178.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.97 -43.5 82.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.217 0.532 . . . . 73.2 109.982 178.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.09 -37.55 78.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.106 -0.701 . . . . 71.44 109.106 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.14 -43.66 86.43 Favored 'General case' 0 C--O 1.205 -1.237 0 C-N-CA 120.723 -0.391 . . . . 54.24 111.231 177.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -62.96 -41.26 99.47 Favored 'General case' 0 CA--C 1.493 -1.241 0 O-C-N 121.472 -0.767 . . . . 72.3 110.637 179.029 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.425 HG23 HD12 ' A' ' 55' ' ' LEU . 46.1 mt -56.37 -33.61 38.66 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 N-CA-C 113.02 0.748 . . . . 74.04 113.02 -179.355 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.8 mtm105 -65.71 -32.98 74.83 Favored 'General case' 0 C--O 1.196 -1.749 0 N-CA-C 113.876 1.065 . . . . 74.32 113.876 178.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -78.73 -37.41 41.43 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 107.898 -1.149 . . . . 75.22 107.898 -175.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -90.08 -48.49 7.16 Favored 'General case' 0 N--CA 1.435 -1.194 0 CA-C-N 114.328 -1.306 . . . . 64.52 111.958 -169.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.425 HD12 HG23 ' A' ' 51' ' ' ILE . 67.2 mt -98.76 -8.84 25.36 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 121.635 0.731 . . . . 73.53 111.512 -177.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.26 18.61 79.98 Favored Glycine 0 N--CA 1.466 0.646 0 N-CA-C 115.632 1.013 . . . . 74.33 115.632 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.9 m -143.33 155.2 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 117.79 0.795 . . . . 42.02 110.428 -176.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -82.91 122.07 27.78 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.56 -0.904 . . . . 71.15 108.56 175.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -69.1 121.89 83.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 107.9 -1.148 . . . . 75.04 107.9 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.76 111.24 1.64 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 O-C-N 121.896 0.419 . . . . 75.34 111.45 177.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.7 tt -58.85 -24.39 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-O 121.079 0.466 . . . . 74.35 112.217 -177.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.43 -39.73 88.5 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.609 -0.682 . . . . 73.25 110.88 174.225 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -77.08 -30.82 55.64 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.722 -0.474 . . . . 74.34 109.722 -177.142 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.0 tp -64.85 -47.34 78.27 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-O 121.144 0.497 . . . . 52.14 110.574 177.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -73.63 -25.57 60.36 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.069 -0.653 . . . . 74.04 111.994 -179.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.4 m -75.69 -24.58 56.29 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.855 0.359 . . . . 70.44 110.79 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.9 m -147.73 87.68 5.84 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 108.742 -0.836 . . . . 71.04 108.742 -178.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -75.62 8.61 2.57 Favored 'Trans proline' 0 N--CA 1.475 0.413 0 N-CA-C 115.624 1.356 . . . . 43.14 115.624 -174.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 65.6 p -98.12 149.22 35.51 Favored Pre-proline 0 C--N 1.327 -0.385 0 N-CA-C 108.95 -0.759 . . . . 61.31 108.95 177.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.05 -30.29 32.36 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 116.257 -2.029 . . . . 72.51 113.544 -175.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.412 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . . . -77.4 -29.98 53.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.56 -0.713 . . . . 64.23 110.552 173.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.61 -47.09 58.7 Favored Glycine 0 CA--C 1.501 -0.823 0 N-CA-C 110.562 -1.015 . . . . 71.14 110.562 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.2 p -64.49 -35.1 73.5 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.373 0 N-CA-C 109.202 -0.666 . . . . 64.41 109.202 -177.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.19 97.09 Favored 'General case' 0 C--O 1.212 -0.873 0 O-C-N 123.45 0.469 . . . . 74.04 111.281 177.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -74.63 -33.19 62.51 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.387 -0.369 . . . . 72.34 110.508 -178.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.99 -41.12 78.27 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 112.21 0.448 . . . . 72.34 112.21 178.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.2 pp . . . . . 0 C--O 1.219 -0.505 0 O-C-N 121.853 -0.529 . . . . 51.12 110.637 177.514 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.462 0.168 0 N-CA-C 114.347 1.24 . . . . 73.12 114.347 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -40.13 93.26 Favored 'General case' 0 C--O 1.202 -1.415 0 N-CA-C 114.174 1.176 . . . . 53.2 114.174 -173.064 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -69.11 -30.95 69.34 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 120.614 -0.434 . . . . 74.42 111.167 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.3 t -70.52 -44.03 77.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 107.511 -1.292 . . . . 63.04 107.511 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.6 mt -63.26 -43.09 98.96 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.131 -0.94 . . . . 74.14 110.901 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -45.03 88.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.608 -0.269 . . . . 74.31 111.175 177.505 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.43 -41.95 83.94 Favored 'General case' 0 C--O 1.212 -0.889 0 C-N-CA 120.459 -0.497 . . . . 71.24 111.438 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.409 HD22 ' HB3' ' A' ' 50' ' ' ARG . 45.3 mt -64.47 -29.93 70.97 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 121.967 -0.458 . . . . 65.54 111.766 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -59.42 -46.0 89.95 Favored 'General case' 0 C--O 1.247 0.953 0 N-CA-C 108.339 -0.986 . . . . 75.14 108.339 174.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.06 -43.21 99.23 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 113.013 0.745 . . . . 51.31 113.013 -179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -60.03 -33.37 71.92 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 112.626 0.602 . . . . 73.54 112.626 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.2 mm -90.7 -37.36 9.3 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 N-CA-C 114.134 1.161 . . . . 63.02 114.134 -177.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.4 mt -88.48 -23.96 23.1 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 122.869 0.468 . . . . 74.11 112.007 -175.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.83 25.95 65.96 Favored Glycine 0 C--O 1.224 -0.516 0 C-N-CA 121.408 -0.425 . . . . 74.4 113.124 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.1 m -97.91 152.69 4.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.992 0.425 . . . . 70.31 109.897 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -69.53 -29.65 67.3 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 114.499 1.296 . . . . 54.43 114.499 -173.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 35.3 ptt85 -149.07 166.17 29.53 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.639 -0.71 . . . . 74.03 111.186 177.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.4 t -137.17 137.16 46.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 107.827 -1.175 . . . . 72.11 107.827 177.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.88 166.51 13.54 Favored Glycine 0 C--O 1.218 -0.903 0 N-CA-C 110.04 -1.224 . . . . 72.31 110.04 175.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 30.2 m -64.97 -22.81 32.16 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.481 0 CA-C-N 118.145 0.972 . . . . 71.11 113.061 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -108.25 15.03 24.46 Favored 'General case' 0 C--O 1.212 -0.896 0 CA-C-O 121.7 0.762 . . . . 73.35 112.66 -178.136 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.65 113.3 18.75 Favored 'General case' 0 N--CA 1.443 -0.797 0 O-C-N 121.007 -1.058 . . . . 74.2 111.157 -174.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.9 120.92 22.7 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-O 121.643 0.735 . . . . 53.55 110.9 -175.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -46.6 -42.8 16.67 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 114.806 -1.088 . . . . 75.31 113.331 -178.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -74.2 -21.53 59.77 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.397 1.258 . . . . 54.03 114.397 -176.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -85.96 -19.44 30.42 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 109.106 -0.702 . . . . 71.32 109.106 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.0 mt -89.32 20.21 3.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.068 -0.969 . . . . 53.42 110.386 175.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.08 4.24 72.05 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 115.586 0.994 . . . . 63.23 115.586 177.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.48 151.76 51.63 Favored Glycine 0 C--O 1.219 -0.823 0 CA-C-O 122.127 0.848 . . . . 71.2 113.475 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.1 t -141.55 164.92 28.92 Favored 'General case' 0 CA--C 1.5 -0.943 0 N-CA-C 107.175 -1.417 . . . . 63.43 107.175 -177.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.1 m -61.0 -29.04 69.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.945 0.403 . . . . 54.35 110.029 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.53 -41.46 98.48 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.045 0.45 . . . . 72.0 110.585 176.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.6 mt -79.21 -27.74 42.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.174 -0.466 . . . . 74.03 110.373 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.96 -37.76 83.52 Favored 'General case' 0 C--O 1.204 -1.302 0 N-CA-C 109.52 -0.548 . . . . 42.02 109.52 178.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.4 mmt -64.15 -33.84 76.71 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 122.161 -0.337 . . . . 72.11 111.356 177.101 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -70.82 -37.34 73.2 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 122.068 -0.395 . . . . 75.51 110.861 176.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 52.2 tp -62.95 -46.42 87.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.725 0.774 . . . . 75.44 109.42 178.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.7 mt -62.2 -38.04 80.03 Favored 'Isoleucine or valine' 0 C--N 1.343 0.286 0 N-CA-C 109.382 -0.599 . . . . 73.4 109.382 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.61 -42.67 99.72 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 120.137 -0.625 . . . . 75.41 111.062 178.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.409 ' HB3' HD22 ' A' ' 18' ' ' LEU . 6.8 mmt85 -66.57 -32.1 73.22 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 121.123 0.487 . . . . 73.31 111.543 178.68 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.6 mt -66.42 -31.06 51.89 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.356 0 N-CA-C 108.485 -0.931 . . . . 55.32 108.485 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -66.37 -28.53 68.72 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 118.334 0.516 . . . . 72.2 111.931 175.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -77.93 -40.25 40.19 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 107.979 -1.119 . . . . 75.31 107.979 -178.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -88.18 -40.31 13.81 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 115.822 1.786 . . . . 54.14 115.822 -173.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.9 mt -109.33 -5.92 15.68 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-O 121.14 0.495 . . . . 65.4 109.776 -175.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.7 16.55 76.13 Favored Glycine 0 N--CA 1.465 0.614 0 N-CA-C 115.042 0.777 . . . . 54.32 115.042 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 30.6 m -140.83 157.16 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 117.464 0.632 . . . . 71.51 111.171 -176.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.57 108.98 20.28 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.447 -0.575 . . . . 74.11 109.447 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.513 HD22 ' HD2' ' A' ' 60' ' ' PRO . 1.0 OUTLIER -65.59 120.44 68.35 Favored Pre-proline 0 CA--C 1.539 0.541 0 N-CA-C 108.906 -0.776 . . . . 63.44 108.906 177.724 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.513 ' HD2' HD22 ' A' ' 59' ' ' LEU . 9.6 Cg_endo -60.8 125.74 17.96 Favored 'Trans proline' 0 CA--C 1.471 -2.642 0 CA-C-N 119.307 0.788 . . . . 72.24 112.498 175.06 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.9 tt -60.19 -21.38 22.26 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 CA-C-O 122.06 0.933 . . . . 60.42 113.446 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -61.28 -36.17 79.32 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-O 122.271 1.034 . . . . 65.03 111.709 176.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -75.21 -36.98 61.33 Favored 'General case' 0 N--CA 1.394 -3.243 0 CA-C-N 113.433 -1.712 . . . . 74.22 110.787 -175.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.8 tp -64.42 -42.34 96.09 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.678 -0.692 . . . . 71.1 112.578 172.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -70.76 -31.5 68.33 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.633 -0.667 . . . . 74.01 111.936 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.3 m -74.3 -26.38 60.14 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.095 0.474 . . . . 54.41 110.863 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.2 m -149.28 91.04 4.55 Favored Pre-proline 0 C--O 1.219 -0.551 0 N-CA-C 109.211 -0.663 . . . . 53.25 109.211 -178.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -77.52 1.17 9.06 Favored 'Trans proline' 0 C--O 1.216 -0.577 0 N-CA-C 116.766 1.795 . . . . 72.23 116.766 -174.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 72.2 p -92.98 154.2 41.81 Favored Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 108.975 -0.75 . . . . 51.1 108.975 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -67.5 -33.05 30.23 Favored 'Trans proline' 0 CA--C 1.535 0.534 0 C-N-CA 115.842 -2.305 . . . . 70.34 113.983 -177.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.24 -32.84 63.14 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 121.595 -0.691 . . . . 71.31 109.891 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.76 -48.0 58.01 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 110.665 -0.974 . . . . 62.03 110.665 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.1 p -68.31 -27.47 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.563 0 C-N-CA 119.736 -0.785 . . . . 61.44 110.326 -177.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.58 -48.35 69.86 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-O 121.789 0.804 . . . . 43.33 110.426 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -70.84 -33.34 70.56 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.138 -0.976 . . . . 65.44 110.232 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.0 89.74 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 112.192 0.441 . . . . 63.45 112.192 178.259 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 C--N 1.324 -0.54 0 C-N-CA 120.323 -0.551 . . . . 65.23 110.303 -179.6 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.222 -0.375 0 N-CA-C 113.006 0.743 . . . . 62.22 113.006 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -63.62 -41.27 98.31 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.646 -0.252 . . . . 54.31 111.334 -171.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -68.01 -30.89 70.24 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 120.486 -0.486 . . . . 70.24 112.105 178.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.3 t -70.04 -46.06 74.23 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.568 0 N-CA-C 107.377 -1.342 . . . . 72.14 107.377 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -63.64 -38.76 92.35 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.46 -0.336 . . . . 70.23 111.358 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.0 m -57.43 -47.98 80.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.907 0.384 . . . . 64.14 110.463 174.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.68 -35.28 78.54 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.342 -0.849 . . . . 70.42 111.337 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.478 HD22 ' HG2' ' A' ' 50' ' ' ARG . 25.6 mt -65.7 -32.91 74.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.199 -0.313 . . . . 74.11 111.021 179.182 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -63.32 -49.38 74.2 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 106.938 -1.504 . . . . 74.13 106.938 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.51 -47.78 78.59 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.358 0.599 . . . . 73.5 111.989 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.432 ' HB3' HH12 ' A' ' 50' ' ' ARG . 39.9 mm-40 -60.39 -34.69 74.27 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.506 0.928 . . . . 73.32 113.506 -177.483 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.9 mt -92.33 -37.87 9.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 112.726 0.639 . . . . 60.04 112.726 -173.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.0 mt -85.77 -24.87 26.68 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 123.259 0.624 . . . . 71.33 111.643 -176.052 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.32 33.78 31.06 Favored Glycine 0 C--O 1.225 -0.445 0 C-N-CA 120.667 -0.778 . . . . 63.51 112.931 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 m -108.07 147.82 12.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-O 120.995 0.426 . . . . 73.15 110.039 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -72.44 -26.68 61.93 Favored 'General case' 0 CA--C 1.503 -0.863 0 N-CA-C 114.539 1.311 . . . . 75.14 114.539 -175.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.2 tpt85 -143.95 158.7 43.53 Favored 'General case' 0 N--CA 1.438 -1.059 0 O-C-N 121.877 -0.514 . . . . 72.32 109.852 -177.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.2 t -148.09 133.82 11.64 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.309 0 N-CA-C 106.989 -1.485 . . . . 74.33 106.989 175.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.39 171.16 31.96 Favored Glycine 0 C--N 1.342 0.906 0 N-CA-C 110.782 -0.927 . . . . 74.32 110.782 175.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.43 -22.91 20.82 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.846 0 C-N-CA 119.883 -0.727 . . . . 71.34 109.229 179.449 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -107.95 15.89 23.97 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-N 114.593 -1.185 . . . . 71.12 112.134 -176.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.98 126.9 31.03 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 112.659 0.615 . . . . 63.25 112.659 -175.137 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.96 116.12 18.22 Favored 'General case' 0 C--O 1.211 -0.951 0 CA-C-O 121.561 0.696 . . . . 74.14 109.258 -177.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -51.77 -40.91 61.14 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 115.431 -0.804 . . . . 72.1 111.657 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -76.25 -22.93 54.57 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.565 0.95 . . . . 73.1 113.565 -177.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -77.18 -31.3 55.3 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 107.566 -1.272 . . . . 72.12 107.566 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.7 mt -76.17 11.89 1.35 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.759 -1.109 . . . . 44.32 111.275 173.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.47 4.72 76.43 Favored Glycine 0 N--CA 1.464 0.552 0 CA-C-O 122.466 1.037 . . . . 51.32 115.37 177.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.73 83.1 0.29 Allowed Glycine 0 CA--C 1.529 0.945 0 N-CA-C 115.329 0.892 . . . . 50.3 115.329 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 50.4 m -66.48 161.93 21.75 Favored 'General case' 0 C--O 1.218 -0.557 0 O-C-N 122.671 -0.311 . . . . 42.44 110.848 176.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.3 m -58.79 -29.45 66.83 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.338 0.866 . . . . 74.33 113.338 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.18 -37.89 75.26 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.267 0.556 . . . . 70.14 110.258 176.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.9 tp -70.35 -29.32 65.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.414 0.626 . . . . 72.12 109.541 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.35 -30.07 66.45 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-O 122.002 0.906 . . . . 71.23 112.751 175.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 95.6 mtp -62.98 -35.18 79.33 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 120.829 -1.169 . . . . 74.25 110.048 178.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 ttm-85 -68.39 -36.28 78.91 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.476 -0.765 . . . . 75.31 109.549 177.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 53.2 tp -64.02 -47.42 80.33 Favored 'General case' 0 C--O 1.219 -0.553 0 N-CA-C 109.816 -0.438 . . . . 64.14 109.816 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.7 mt -60.51 -40.09 83.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.907 -0.588 . . . . 44.51 110.217 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.64 94.1 Favored 'General case' 0 C--O 1.213 -0.849 0 C-N-CA 121.308 -0.157 . . . . 74.0 110.927 178.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.478 ' HG2' HD22 ' A' ' 18' ' ' LEU . 8.2 tpt180 -67.48 -34.36 76.99 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 123.521 0.513 . . . . 70.52 109.831 -176.323 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.6 mt -63.4 -27.67 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.291 0 N-CA-C 108.832 -0.803 . . . . 62.33 108.832 -175.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -63.0 -33.05 74.6 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-O 121.232 0.539 . . . . 75.02 112.287 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -80.43 -37.17 32.57 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.133 -1.062 . . . . 65.43 108.133 -174.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.431 ' HG3' HD21 ' A' ' 18' ' ' LEU . 72.2 mm-40 -82.75 -38.9 22.6 Favored 'General case' 0 C--O 1.188 -2.157 0 N-CA-C 114.475 1.287 . . . . 74.22 114.475 -174.744 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 mt -117.18 -2.16 11.71 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 113.618 0.97 . . . . 70.3 113.618 -171.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.29 26.14 74.33 Favored Glycine 0 C--O 1.219 -0.828 0 CA-C-N 115.79 -0.641 . . . . 61.44 111.77 178.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.9 p -145.13 148.26 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 O-C-N 122.148 -0.619 . . . . 75.51 111.349 -171.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -92.75 117.81 30.4 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.017 -1.105 . . . . 70.15 108.017 174.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.3 tp -64.71 125.04 88.0 Favored Pre-proline 0 C--N 1.321 -0.633 0 C-N-CA 120.175 -0.61 . . . . 71.53 110.845 -177.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.67 120.1 7.29 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 118.275 -0.683 . . . . 64.44 111.035 172.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.2 tt -63.82 -23.24 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 O-C-N 121.685 -0.634 . . . . 73.13 112.006 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.2 mtp85 -63.39 -34.38 77.6 Favored 'General case' 0 CA--C 1.503 -0.855 0 CA-C-O 119.247 -0.406 . . . . 73.23 110.153 174.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -37.63 69.87 Favored 'General case' 0 C--O 1.206 -1.21 0 CA-C-N 119.704 1.138 . . . . 52.13 108.847 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.4 tp -64.96 -45.42 85.77 Favored 'General case' 0 C--O 1.213 -0.867 0 C-N-CA 120.578 -0.449 . . . . 63.12 111.448 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.0 m-30 -70.46 -26.86 63.84 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.393 -0.523 . . . . 72.34 112.118 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.7 t -78.29 -26.11 46.9 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.358 0.599 . . . . 73.33 111.156 178.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.3 m -148.89 87.96 5.31 Favored Pre-proline 0 N--CA 1.449 -0.493 0 N-CA-C 108.45 -0.944 . . . . 71.21 108.45 -177.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -78.73 24.98 0.56 Allowed 'Trans proline' 0 N--CA 1.48 0.685 0 C-N-CA 122.041 1.827 . . . . 70.34 116.113 -175.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.4 p -117.38 153.77 50.22 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 108.661 -0.866 . . . . 72.24 108.661 178.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.95 -28.15 24.67 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 115.841 -2.306 . . . . 60.03 112.608 -174.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.2 -37.07 46.4 Favored 'General case' 0 N--CA 1.439 -0.994 0 C-N-CA 119.439 -0.905 . . . . 54.51 112.063 173.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.39 -43.57 87.2 Favored Glycine 0 C--N 1.308 -1.018 0 C-N-CA 119.348 -1.406 . . . . 52.32 109.882 -175.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.45 -33.66 65.2 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 113.752 1.019 . . . . 74.25 113.752 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.57 -41.27 96.39 Favored 'General case' 0 C--O 1.209 -1.038 0 O-C-N 121.588 -0.695 . . . . 74.12 110.853 178.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -76.47 -37.02 57.54 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 124.9 2.286 . . . . 63.23 108.591 -173.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.6 -43.85 95.74 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 111.76 -2.473 . . . . 74.33 110.529 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.5 pp . . . . . 0 C--O 1.212 -0.889 0 O-C-N 121.285 -0.884 . . . . 74.54 111.125 176.473 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.207 -1.173 0 CA-C-O 121.146 0.498 . . . . 75.44 111.351 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -62.45 -35.14 78.36 Favored 'General case' 0 CA--C 1.49 -1.334 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.544 -178.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.98 -35.79 69.61 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-O 121.596 0.712 . . . . 73.33 111.609 -175.765 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.2 t -65.86 -43.83 92.97 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.314 0 N-CA-C 105.858 -1.904 . . . . 75.54 105.858 177.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.2 mt -64.57 -39.27 93.43 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 115.752 -0.658 . . . . 63.34 112.096 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 66.6 m -58.68 -46.29 87.56 Favored 'General case' 0 C--O 1.214 -0.767 0 N-CA-C 112.434 0.531 . . . . 55.31 112.434 176.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.69 -36.63 78.74 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.343 -0.848 . . . . 71.14 110.712 -179.041 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mp -70.49 -30.47 67.27 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.95 -0.389 . . . . 73.33 109.95 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -63.3 -46.21 87.78 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 106.415 -1.698 . . . . 74.34 106.415 174.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.25 92.15 Favored 'General case' 0 N--CA 1.435 -1.175 0 N-CA-C 116.009 1.855 . . . . 53.42 116.009 -178.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -73.35 -27.47 61.51 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 120.725 -1.234 . . . . 73.23 111.794 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.7 mm -87.58 -37.95 11.43 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.844 0 N-CA-C 113.284 0.846 . . . . 73.23 113.284 -178.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.1 mt -84.07 -23.91 30.62 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.044 -1.095 . . . . 71.31 108.044 -177.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.91 19.78 77.07 Favored Glycine 0 C--O 1.241 0.539 0 CA-C-O 118.701 -1.055 . . . . 73.13 112.49 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.5 m -90.98 162.77 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.713 0 CA-C-N 117.721 0.76 . . . . 44.43 109.648 -177.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.26 -26.38 39.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.266 0.555 . . . . 75.52 112.475 -174.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -148.76 155.06 40.44 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 113.124 0.787 . . . . 71.11 113.124 -176.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.9 t -138.79 130.2 35.77 Favored 'Isoleucine or valine' 0 C--O 1.258 1.548 0 O-C-N 123.903 0.752 . . . . 71.5 109.896 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.12 164.86 34.0 Favored Glycine 0 CA--C 1.541 1.664 0 C-N-CA 120.798 -0.715 . . . . 74.31 111.429 172.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -70.15 -18.25 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 O-C-N 121.046 -1.267 . . . . 72.5 110.877 177.044 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -114.13 17.08 17.94 Favored 'General case' 0 C--O 1.206 -1.206 0 N-CA-C 109.117 -0.698 . . . . 40.54 109.117 -174.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.89 126.36 33.42 Favored 'General case' 0 C--O 1.244 0.767 0 C-N-CA 120.176 -0.61 . . . . 65.54 111.23 -175.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.401 ' HB3' ' HB2' ' A' ' 36' ' ' ASP . . . -79.12 134.76 36.72 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-O 122.225 1.012 . . . . 65.33 109.12 -177.243 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -56.46 -38.53 71.78 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 115.799 -0.637 . . . . 75.24 111.751 -178.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -79.79 -18.94 49.75 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.756 1.021 . . . . 74.31 113.756 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.401 ' HB2' ' HB3' ' A' ' 33' ' ' ALA . 37.7 t0 -75.92 -34.81 59.92 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 107.104 -1.443 . . . . 71.54 107.104 -178.195 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.4 mt -79.75 20.62 0.58 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.559 -1.2 . . . . 72.44 113.466 174.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.29 6.9 68.15 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 114.524 0.57 . . . . 65.25 114.524 175.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.45 169.55 54.09 Favored Glycine 0 C--O 1.214 -1.149 0 C-N-CA 120.079 -1.057 . . . . 60.14 114.56 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 88.3 p -144.86 166.3 25.66 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.587 -0.523 . . . . 74.31 109.587 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.7 m -59.97 -32.0 70.41 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.983 0.734 . . . . 73.11 112.983 177.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.89 -42.46 66.76 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 123.673 0.608 . . . . 45.35 110.532 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.2 tp -66.22 -32.05 73.25 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 121.676 0.751 . . . . 75.53 109.994 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.97 -29.05 66.9 Favored 'General case' 0 C--O 1.191 -1.986 0 CA-C-O 121.456 0.646 . . . . 72.03 111.167 -178.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 59.9 mtt -64.79 -28.24 69.43 Favored 'General case' 0 C--O 1.212 -0.914 0 O-C-N 121.729 -0.607 . . . . 75.13 111.356 178.112 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -76.08 -37.94 57.62 Favored 'General case' 0 C--O 1.249 1.031 0 N-CA-C 108.458 -0.942 . . . . 64.34 108.458 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 34.8 tp -61.58 -46.94 87.76 Favored 'General case' 0 C--O 1.225 -0.185 0 O-C-N 123.921 0.763 . . . . 65.31 109.146 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.404 ' HA ' HD12 ' A' ' 51' ' ' ILE . 74.6 mt -59.94 -37.97 74.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-O 121.11 0.481 . . . . 73.45 109.919 -179.349 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.81 -42.91 94.51 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.445 -0.784 . . . . 73.3 111.382 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -68.77 -32.08 71.58 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 114.341 1.237 . . . . 44.45 114.341 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.407 HG21 ' HB2' ' A' ' 59' ' ' LEU . 97.9 mt -60.51 -33.62 55.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 N-CA-C 109.021 -0.733 . . . . 71.45 109.021 178.219 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -64.77 -33.09 75.16 Favored 'General case' 0 C--O 1.204 -1.318 0 O-C-N 121.301 -0.874 . . . . 74.01 112.354 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -80.37 -35.98 34.61 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 107.96 -1.126 . . . . 72.41 107.96 -175.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -84.63 -47.61 10.33 Favored 'General case' 0 C--O 1.204 -1.313 0 CA-C-N 115.233 -0.894 . . . . 52.43 111.941 -173.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 65.1 mt -106.9 -1.93 21.84 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 118.577 0.626 . . . . 75.34 110.902 -171.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.71 24.34 74.07 Favored Glycine 0 CA--C 1.502 -0.769 0 CA-C-N 115.309 -0.86 . . . . 74.3 113.234 176.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.5 m -139.18 146.31 26.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 117.976 0.888 . . . . 75.52 112.044 -177.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -86.58 89.01 7.77 Favored 'General case' 0 C--O 1.251 1.133 0 CA-C-O 121.709 0.766 . . . . 52.4 109.049 176.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.407 ' HB2' HG21 ' A' ' 51' ' ' ILE . 1.4 tt -64.95 124.05 85.52 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-N 114.859 -1.064 . . . . 63.01 110.672 -174.011 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -62.75 132.76 38.83 Favored 'Trans proline' 0 C--O 1.218 -0.49 0 C-N-CA 120.889 1.06 . . . . 73.4 113.884 -178.048 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.2 tt -63.28 -21.64 28.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-O 121.727 0.775 . . . . 71.45 109.887 175.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -63.27 -33.47 75.58 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 118.708 -0.663 . . . . 74.34 111.826 174.161 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -73.73 -39.16 64.48 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-N 118.234 0.47 . . . . 63.23 111.166 177.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.77 -40.25 94.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.078 0.466 . . . . 72.23 112.041 176.161 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -75.25 -20.7 59.05 Favored 'General case' 0 C--O 1.214 -0.796 0 C-N-CA 119.376 -0.929 . . . . 75.04 110.637 178.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.4 t -73.91 -34.73 64.49 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.853 -1.165 . . . . 61.23 107.853 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.3 t -156.35 110.35 2.05 Favored Pre-proline 0 C--N 1.318 -0.765 0 N-CA-C 108.154 -1.054 . . . . 71.33 108.154 178.277 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -83.26 0.94 9.32 Favored 'Trans proline' 0 C--O 1.216 -0.575 0 N-CA-C 117.478 2.069 . . . . 72.43 117.478 -174.161 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 71.6 p -92.17 155.65 42.63 Favored Pre-proline 0 C--N 1.316 -0.855 0 CA-C-N 118.527 0.603 . . . . 70.01 109.739 -177.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.61 -32.29 24.61 Favored 'Trans proline' 0 C--O 1.248 0.997 0 C-N-CA 115.81 -2.327 . . . . 52.43 112.812 -174.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.86 -31.03 51.21 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-O 122.065 0.936 . . . . 63.52 109.054 177.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -71.42 -40.63 59.85 Favored Glycine 0 C--O 1.25 1.096 0 C-N-CA 120.879 -0.677 . . . . 63.44 113.938 -177.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.6 p -68.31 -31.08 49.96 Favored 'Isoleucine or valine' 0 C--O 1.25 1.107 0 N-CA-C 109.083 -0.71 . . . . 61.35 109.083 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.18 96.43 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.302 0.572 . . . . 55.52 110.537 176.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.3 mtp-105 -72.57 -35.95 68.08 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 121.172 -0.955 . . . . 75.45 111.478 177.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.3 -42.81 99.08 Favored 'General case' 0 C--N 1.333 -0.115 0 N-CA-C 112.865 0.691 . . . . 61.35 112.865 -178.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--O 1.236 0.373 0 N-CA-C 109.01 -0.737 . . . . 74.52 109.01 -178.221 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.474 0.763 0 CA-C-O 121.252 0.548 . . . . 53.31 111.232 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.423 ' HG2' ' HA ' ' A' ' 71' ' ' ALA . 80.7 mt-10 -59.18 -36.89 76.12 Favored 'General case' 0 C--O 1.192 -1.969 0 CA-C-N 115.896 -0.593 . . . . 64.52 112.019 -177.292 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.419 ' H ' ' HG2' ' A' ' 13' ' ' LYS . 34.1 mmtt -74.22 -31.74 62.73 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 112.421 0.526 . . . . 65.42 112.421 -170.47 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.5 t -68.26 -47.21 79.05 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 N-CA-C 107.118 -1.438 . . . . 64.25 107.118 174.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.6 mt -60.84 -38.52 85.8 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 112.341 0.497 . . . . 74.13 112.341 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.5 m -58.41 -46.03 87.25 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.258 -0.276 . . . . 73.51 111.323 175.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.65 -37.64 85.22 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.234 -0.917 . . . . 61.15 110.516 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mp -62.98 -35.94 81.86 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.644 -0.707 . . . . 72.42 109.878 178.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -61.05 -43.95 98.12 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 107.775 -1.195 . . . . 74.21 107.775 178.299 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.0 93.68 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 113.915 1.08 . . . . 53.13 113.915 -176.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -62.61 -35.57 79.98 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-O 121.868 0.842 . . . . 73.41 112.194 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.8 mm -86.97 -38.01 11.79 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 CA-C-N 115.052 -0.976 . . . . 72.43 112.975 -175.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.6 mt -88.36 -26.47 22.19 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 113.54 0.941 . . . . 71.15 113.54 -176.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.57 31.33 41.27 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.838 -0.696 . . . . 73.11 113.121 -178.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 m -106.48 151.87 8.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 109.215 -0.661 . . . . 73.33 109.215 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -70.8 -37.01 73.25 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.945 1.461 . . . . 72.1 114.945 -175.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.2 mtt-85 -135.79 155.87 49.68 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 115.672 -0.695 . . . . 74.24 109.621 -176.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.7 t -134.18 131.15 55.23 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.9 0 O-C-N 124.478 1.111 . . . . 71.44 109.443 178.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.506 ' H ' ' CG ' ' A' ' 32' ' ' ASP . . . -91.73 169.85 33.0 Favored Glycine 0 CA--C 1.528 0.86 0 N-CA-C 110.269 -1.132 . . . . 51.32 110.269 176.072 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -21.02 17.41 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.545 0 CA-C-O 121.772 0.796 . . . . 74.04 110.117 178.059 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -101.7 10.55 39.96 Favored 'General case' 0 C--O 1.206 -1.186 0 CA-C-N 114.207 -1.361 . . . . 72.41 112.584 -175.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.506 ' CG ' ' H ' ' A' ' 29' ' ' GLY . 2.7 m-20 -69.81 118.44 12.67 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.805 -0.56 . . . . 61.3 111.239 -170.247 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.03 115.09 21.7 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 108.019 -1.104 . . . . 64.15 108.019 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -48.74 -43.61 37.68 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 113.532 0.938 . . . . 71.32 113.532 -173.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -74.18 -20.74 60.1 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 114.144 1.165 . . . . 64.14 114.144 -177.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -78.14 -29.46 48.8 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.692 0.758 . . . . 74.32 109.044 -178.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.403 HD11 ' HB3' ' A' ' 32' ' ' ASP . 1.2 mt -81.35 18.56 1.11 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.289 -0.869 . . . . 70.21 110.993 177.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.78 7.48 81.26 Favored Glycine 0 CA--C 1.516 0.129 0 C-N-CA 121.363 -0.446 . . . . 50.22 113.013 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.98 145.38 47.89 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-O 121.925 0.736 . . . . 63.21 112.377 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.0 p -128.22 168.91 14.79 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.726 -0.842 . . . . 75.22 108.726 -178.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.2 p -61.41 -32.8 72.76 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.067 -0.346 . . . . 71.23 110.067 177.025 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.53 -43.41 85.26 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 120.848 0.356 . . . . 73.34 110.505 177.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.4 mt -68.51 -32.0 71.65 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 122.294 -0.254 . . . . 62.13 110.488 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.66 -34.12 75.17 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-O 121.517 0.675 . . . . 61.32 111.237 177.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 67.1 mtm -65.22 -35.54 81.38 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 120.705 -1.247 . . . . 60.34 110.723 175.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -74.13 -31.91 62.94 Favored 'General case' 0 C--O 1.207 -1.132 0 O-C-N 121.304 -0.873 . . . . 71.5 109.47 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.3 tp -63.37 -48.1 79.34 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 107.427 -1.323 . . . . 64.25 107.427 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.6 mt -60.17 -38.19 76.18 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.798 0 CA-C-N 115.622 -0.717 . . . . 50.05 109.688 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.81 -40.95 98.96 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 120.148 -0.621 . . . . 72.13 110.348 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.25 -39.12 92.24 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.151 0.426 . . . . 64.43 112.151 178.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.456 HD13 HD13 ' A' ' 59' ' ' LEU . 96.8 mt -59.03 -33.77 51.15 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.146 0 N-CA-C 113.195 0.813 . . . . 74.43 113.195 177.108 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -61.26 -32.28 72.09 Favored 'General case' 0 C--O 1.206 -1.186 0 O-C-N 120.456 -1.403 . . . . 74.2 111.481 -178.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -80.06 -33.98 38.52 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-O 123.264 1.507 . . . . 73.51 107.733 -171.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -96.29 -43.53 7.65 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 113.415 -1.72 . . . . 74.13 112.956 -169.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.6 mt -102.57 -9.26 20.3 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.009 -1.057 . . . . 74.42 110.515 -177.276 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.79 17.7 79.61 Favored Glycine 0 C--N 1.354 1.559 0 CA-C-N 114.953 -1.021 . . . . 61.52 115.515 176.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.9 m -144.15 153.46 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 117.469 0.635 . . . . 72.22 111.452 -177.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -86.03 103.4 14.68 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.222 -1.029 . . . . 74.42 108.222 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.456 HD13 HD13 ' A' ' 51' ' ' ILE . 1.3 tt -61.91 127.34 89.0 Favored Pre-proline 0 C--N 1.324 -0.543 0 C-N-CA 120.23 -0.588 . . . . 64.44 109.595 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -64.19 128.89 22.7 Favored 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 118.479 -0.547 . . . . 74.44 110.874 176.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.0 tt -59.58 -23.53 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 CA-C-O 121.768 0.794 . . . . 70.24 110.15 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -58.65 -31.75 68.43 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.425 -0.807 . . . . 61.3 112.126 175.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -75.02 -39.75 60.94 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.167 -1.049 . . . . 65.21 108.167 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.96 -37.98 89.44 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-O 121.023 0.44 . . . . 74.21 110.893 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -71.25 -28.63 64.31 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.378 -0.529 . . . . 75.3 111.2 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.0 t -78.59 -28.47 45.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.128 0.49 . . . . 72.43 110.791 178.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.0 m -152.26 99.66 2.85 Favored Pre-proline 0 C--N 1.328 -0.353 0 N-CA-C 108.497 -0.927 . . . . 53.21 108.497 -177.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -79.98 8.9 3.8 Favored 'Trans proline' 0 C--N 1.345 0.359 0 N-CA-C 115.688 1.38 . . . . 74.45 115.688 -176.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 71.8 p -105.1 151.81 39.58 Favored Pre-proline 0 CA--C 1.511 -0.535 0 CA-C-N 118.126 0.421 . . . . 72.32 110.925 -178.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -67.9 -32.82 28.13 Favored 'Trans proline' 0 C--O 1.248 0.996 0 C-N-CA 116.652 -1.765 . . . . 73.23 113.139 -176.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.423 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . . . -78.61 -31.46 47.05 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 118.71 -1.196 . . . . 65.33 110.783 177.274 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -71.22 -42.93 56.89 Favored Glycine 0 CA--C 1.496 -1.096 0 C-N-CA 118.843 -1.646 . . . . 51.32 111.064 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.8 p -65.09 -36.04 76.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 C-N-CA 120.336 -0.546 . . . . 51.13 110.15 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.8 97.64 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 123.006 0.523 . . . . 70.31 110.719 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.1 mtp85 -75.42 -34.61 61.03 Favored 'General case' 0 C--N 1.315 -0.902 0 O-C-N 122.075 -0.391 . . . . 62.54 110.796 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.26 -49.25 70.3 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 111.745 0.276 . . . . 65.41 111.745 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 CA--C 1.507 -0.696 0 C-N-CA 120.825 -0.35 . . . . 72.05 111.898 177.667 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.215 -0.737 0 N-CA-C 112.381 0.512 . . . . 75.32 112.381 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -60.09 -40.27 89.0 Favored 'General case' 0 CA--C 1.492 -1.262 0 CA-C-N 116.297 -0.41 . . . . 62.21 110.391 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -66.3 -39.62 89.47 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 120.179 -0.608 . . . . 72.01 111.277 -175.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.2 t -67.65 -52.75 37.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-O 121.495 0.664 . . . . 73.31 110.898 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 pp -72.58 -26.21 61.63 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 119.318 -0.953 . . . . 72.54 112.483 -175.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.7 t -67.12 -41.57 85.95 Favored 'General case' 0 C--O 1.194 -1.867 0 N-CA-C 109.83 -0.433 . . . . 74.43 109.83 175.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.57 84.11 Favored 'General case' 0 C--O 1.25 1.088 0 N-CA-C 108.269 -1.012 . . . . 62.21 108.269 178.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tp -68.54 -29.36 67.92 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.359 -0.837 . . . . 73.53 111.407 -178.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -60.75 -44.2 97.01 Favored 'General case' 0 C--O 1.211 -0.956 0 N-CA-C 107.377 -1.342 . . . . 72.23 107.377 175.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.09 91.38 Favored 'General case' 0 N--CA 1.427 -1.585 0 N-CA-C 112.352 0.501 . . . . 74.23 112.352 -175.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -78.73 -28.29 44.94 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 114.455 1.28 . . . . 73.41 114.455 -177.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.4 mm -82.26 -33.09 11.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 CA-C-O 121.458 0.646 . . . . 74.14 111.362 -178.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.2 mt -89.08 -26.37 21.41 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 115.335 -0.848 . . . . 72.51 109.774 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.13 28.58 58.12 Favored Glycine 0 C--O 1.24 0.482 0 CA-C-O 119.642 -0.532 . . . . 73.14 113.268 179.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.2 m -101.04 158.55 4.06 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.501 0 N-CA-C 112.768 0.655 . . . . 74.01 112.768 -176.023 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.6 -36.66 84.39 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.948 0.88 . . . . 64.53 112.495 -175.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -146.56 157.42 43.73 Favored 'General case' 0 C--O 1.255 1.391 0 C-N-CA 123.734 0.813 . . . . 71.34 109.19 -176.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 p -147.64 137.54 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.31 0 N-CA-C 103.621 -2.733 . . . . 54.02 103.621 171.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.596 ' H ' ' HB2' ' A' ' 32' ' ' ASP . . . -104.19 169.02 17.15 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 108.124 -1.99 . . . . 70.21 108.124 178.049 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.451 ' HA ' ' HG2' ' A' ' 70' ' ' PRO . 0.1 OUTLIER -67.84 -21.48 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 CA-C-N 117.552 0.676 . . . . 74.2 110.131 178.7 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -105.64 12.31 31.27 Favored 'General case' 0 C--O 1.196 -1.754 0 CA-C-O 121.912 0.863 . . . . 73.11 111.441 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.596 ' HB2' ' H ' ' A' ' 29' ' ' GLY . 3.4 t0 -88.2 139.07 30.88 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.859 -1.151 . . . . 65.15 112.484 -173.304 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.79 134.18 34.32 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 120.452 -1.405 . . . . 71.33 110.311 -173.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -55.02 -33.97 63.1 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-N 116.07 -0.513 . . . . 75.04 111.052 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -85.99 -16.22 39.0 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 114.903 1.445 . . . . 62.22 114.903 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -76.57 -34.92 58.45 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 106.066 -1.827 . . . . 70.44 106.066 178.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.8 mt -78.09 15.45 0.91 Allowed 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 113.926 -1.488 . . . . 74.24 113.104 178.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.82 22.3 66.68 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 115.164 0.825 . . . . 63.41 115.164 176.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.87 157.25 42.66 Favored Glycine 0 C--O 1.212 -1.24 0 N-CA-C 116.721 1.448 . . . . 22.31 116.721 -178.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.9 m -132.07 160.97 34.38 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 122.97 0.508 . . . . 72.24 111.618 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.5 p -60.91 -35.09 75.78 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 121.87 -0.518 . . . . 74.01 112.322 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.73 -39.46 93.67 Favored 'General case' 0 C--O 1.244 0.782 0 O-C-N 123.256 0.348 . . . . 62.23 110.535 177.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.9 mt -73.28 -27.66 61.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.858 -0.61 . . . . 63.4 110.24 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.99 97.71 Favored 'General case' 0 C--O 1.194 -1.831 0 O-C-N 121.224 -0.922 . . . . 53.33 109.909 176.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 15.1 mmt -65.8 -34.38 78.03 Favored 'General case' 0 C--O 1.19 -2.039 0 O-C-N 121.71 -0.619 . . . . 71.44 110.635 177.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -40.64 77.97 Favored 'General case' 0 C--O 1.27 2.168 0 N-CA-C 112.838 0.681 . . . . 63.45 112.838 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 36.9 tp -60.82 -49.0 79.24 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.813 0.845 . . . . 71.32 109.487 173.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 67.7 mt -59.02 -41.35 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-O 121.319 0.58 . . . . 41.12 109.793 -179.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.55 -37.03 85.54 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.59 -0.694 . . . . 63.51 112.558 178.497 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.9 tpt85 -68.96 -35.02 76.27 Favored 'General case' 0 C--O 1.183 -2.437 0 CA-C-O 120.861 0.362 . . . . 74.32 110.225 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.8 mt -62.08 -27.64 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.403 -2.784 0 CA-C-O 121.753 0.787 . . . . 74.22 109.645 -176.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -68.54 -30.63 69.47 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.848 -0.615 . . . . 74.1 111.421 179.138 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -79.05 -34.45 43.75 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.043 -1.095 . . . . 61.41 108.043 -178.039 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -82.69 -48.96 10.29 Favored 'General case' 0 C--O 1.208 -1.112 0 N-CA-C 114.515 1.302 . . . . 75.41 114.515 -176.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.3 mt -110.59 -4.79 15.27 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.711 0.634 . . . . 53.41 112.711 -170.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.93 25.7 73.2 Favored Glycine 0 CA--C 1.502 -0.755 0 CA-C-N 114.901 -1.045 . . . . 71.25 113.503 178.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.4 m -140.51 156.39 23.62 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.354 0 O-C-N 121.783 -0.834 . . . . 73.14 109.306 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -92.54 111.38 22.95 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 109.454 -0.573 . . . . 60.42 109.454 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.1 tp -65.95 120.28 67.95 Favored Pre-proline 0 CA--C 1.543 0.711 0 N-CA-C 109.489 -0.56 . . . . 75.32 109.489 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.79 124.09 13.05 Favored 'Trans proline' 0 CA--C 1.518 -0.304 0 N-CA-C 110.583 -0.583 . . . . 64.34 110.583 176.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.9 tt -60.85 -23.18 28.58 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.95 0 CA-C-O 121.405 0.621 . . . . 71.32 111.509 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -35.73 81.83 Favored 'General case' 0 C--O 1.198 -1.607 0 O-C-N 121.445 -0.784 . . . . 71.53 111.203 177.428 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -70.07 -39.43 75.65 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 121.474 0.654 . . . . 74.03 109.598 179.015 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.2 tp -63.43 -41.99 98.68 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.604 -0.726 . . . . 72.2 111.568 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -71.22 -30.07 65.91 Favored 'General case' 0 C--O 1.202 -1.426 0 C-N-CA 119.846 -0.742 . . . . 74.21 110.79 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.3 t -74.83 -25.53 59.07 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 122.147 -0.346 . . . . 74.05 110.793 -177.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.1 m -152.32 92.24 3.51 Favored Pre-proline 0 C--N 1.31 -1.112 0 N-CA-C 106.976 -1.49 . . . . 73.34 106.976 -178.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -76.94 3.97 6.14 Favored 'Trans proline' 0 C--O 1.216 -0.581 0 N-CA-C 115.829 1.434 . . . . 71.04 115.829 -178.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.9 p -93.92 150.11 38.04 Favored Pre-proline 0 C--O 1.242 0.691 0 N-CA-C 108.394 -0.965 . . . . 61.13 108.394 178.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.451 ' HG2' ' HA ' ' A' ' 30' ' ' VAL . 63.4 Cg_endo -65.83 -34.78 38.58 Favored 'Trans proline' 0 C--O 1.248 1.023 0 C-N-CA 116.795 -1.67 . . . . 73.01 113.577 -175.564 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.39 -26.26 59.99 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.959 0.885 . . . . 71.21 110.93 178.064 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -75.03 -47.99 12.25 Favored Glycine 0 N--CA 1.438 -1.2 0 CA-C-O 118.713 -1.048 . . . . 73.52 112.32 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.6 p -66.18 -32.66 59.11 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.574 0 CA-C-N 117.945 0.872 . . . . 73.42 110.271 -178.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.69 -48.42 79.35 Favored 'General case' 0 C--O 1.204 -1.296 0 N-CA-C 113.837 1.051 . . . . 53.21 113.837 176.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.9 ptp180 -73.08 -31.3 64.29 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 119.651 -0.82 . . . . 62.44 109.778 -177.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.89 -46.08 89.52 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 112.662 0.616 . . . . 71.33 112.662 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 N--CA 1.469 0.514 0 CA-C-N 116.045 -0.525 . . . . 72.24 110.045 179.427 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.5 m . . . . . 0 CA--C 1.542 0.648 0 CA-C-O 122.596 1.189 . . . . 71.25 111.903 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.2 mp0 -62.29 -39.66 93.7 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 114.685 -1.143 . . . . 64.24 112.154 -174.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -66.88 -32.29 73.46 Favored 'General case' 0 C--O 1.21 -0.992 0 N-CA-C 113.252 0.834 . . . . 74.14 113.252 -178.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.2 t -69.8 -42.94 80.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 107.03 -1.47 . . . . 74.21 107.03 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.6 mt -64.37 -39.35 93.71 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.446 -0.797 . . . . 51.32 111.636 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 47.5 m -62.09 -44.98 95.48 Favored 'General case' 0 C--O 1.209 -1.054 0 N-CA-C 111.796 0.295 . . . . 65.43 111.796 175.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.23 96.82 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 120.905 -1.122 . . . . 72.01 109.639 -178.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mp -65.45 -32.38 73.97 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-O 120.992 0.425 . . . . 71.11 111.12 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -63.52 -45.39 90.83 Favored 'General case' 0 C--O 1.203 -1.387 0 N-CA-C 108.348 -0.982 . . . . 73.13 108.348 174.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.52 -41.29 97.1 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 121.403 0.621 . . . . 62.52 112.66 -177.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.87 -42.21 97.59 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 123.131 0.572 . . . . 73.32 111.852 -177.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.8 mt -88.21 -35.74 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 120.531 -0.468 . . . . 44.22 111.917 -172.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.0 mt -83.97 -20.66 32.47 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 123.7 0.625 . . . . 71.11 110.337 -177.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.19 31.31 52.75 Favored Glycine 0 CA--C 1.498 -0.978 0 CA-C-O 119.283 -0.732 . . . . 71.23 113.929 176.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -110.43 153.46 12.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 CA-C-O 120.943 0.402 . . . . 65.4 110.308 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -71.38 -31.76 67.69 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 114.388 1.255 . . . . 65.04 114.388 -174.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -140.4 154.46 46.71 Favored 'General case' 0 CA--C 1.5 -0.978 0 N-CA-C 109.664 -0.495 . . . . 71.11 109.664 -177.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 56.4 t -134.01 126.36 50.05 Favored 'Isoleucine or valine' 0 C--O 1.245 0.839 0 O-C-N 124.865 1.353 . . . . 54.44 109.845 176.01 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.5 158.74 34.32 Favored Glycine 0 C--N 1.336 0.576 0 N-CA-C 110.499 -1.04 . . . . 75.24 110.499 174.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.4 m -65.68 -14.14 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 O-C-N 121.234 -1.156 . . . . 64.21 111.982 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -119.11 15.15 13.22 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 116.531 -0.304 . . . . 74.31 111.436 -175.298 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -74.01 126.72 31.11 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 119.516 -0.874 . . . . 63.13 110.54 -176.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.65 128.13 33.05 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 108.449 -0.945 . . . . 62.52 108.449 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -52.13 -38.86 58.86 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.776 -0.647 . . . . 73.51 112.429 -176.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -78.48 -15.94 58.07 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 115.85 1.796 . . . . 75.04 115.85 -178.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -79.8 -31.76 40.72 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 107.021 -1.474 . . . . 63.14 107.021 -179.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 mp -84.62 21.14 1.57 Allowed 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 113.903 -1.498 . . . . 74.43 111.122 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.59 4.08 73.71 Favored Glycine 0 N--CA 1.459 0.17 0 N-CA-C 115.211 0.844 . . . . 75.15 115.211 178.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.22 157.0 53.52 Favored Glycine 0 C--O 1.251 1.171 0 CA-C-O 122.962 1.312 . . . . 45.45 115.085 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 75.9 p -142.76 174.86 10.28 Favored 'General case' 0 C--O 1.213 -0.832 0 N-CA-C 108.281 -1.007 . . . . 63.55 108.281 -176.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.7 p -65.24 -29.06 69.82 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 122.208 -0.307 . . . . 64.52 111.316 174.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.7 -40.27 69.62 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-O 121.12 0.486 . . . . 62.44 109.728 177.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.7 mt -74.91 -24.53 58.53 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 121.633 -0.667 . . . . 72.22 110.133 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.77 -30.88 71.91 Favored 'General case' 0 C--O 1.202 -1.399 0 O-C-N 121.341 -0.849 . . . . 72.32 109.683 175.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 60.5 mtt -68.6 -33.97 74.98 Favored 'General case' 0 C--O 1.219 -0.503 0 O-C-N 121.18 -0.95 . . . . 64.14 110.081 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -70.72 -40.9 72.54 Favored 'General case' 0 C--O 1.241 0.658 0 N-CA-C 108.356 -0.979 . . . . 73.33 108.356 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.4 tp -60.45 -50.09 74.96 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 124.101 0.875 . . . . 63.12 110.465 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.8 mt -60.96 -40.49 85.64 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.804 0 N-CA-C 109.709 -0.478 . . . . 71.11 109.709 -177.167 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.5 -41.18 96.59 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 122.357 -0.214 . . . . 73.54 111.224 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -66.59 -33.13 74.99 Favored 'General case' 0 C--O 1.189 -2.108 0 CA-C-O 121.444 0.64 . . . . 72.21 111.4 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.6 mt -65.23 -26.27 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.4 -2.965 0 CA-C-N 115.861 -0.609 . . . . 75.01 109.785 -175.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -67.71 -32.78 73.66 Favored 'General case' 0 C--O 1.205 -1.278 0 C-N-CA 119.87 -0.732 . . . . 73.32 111.387 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -74.13 -40.54 62.57 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 107.408 -1.331 . . . . 73.21 107.408 -176.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -83.37 -46.64 12.33 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 115.412 1.634 . . . . 51.45 115.412 -173.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.3 mt -105.57 -8.21 18.13 Favored 'General case' 0 CA--C 1.504 -0.803 0 O-C-N 121.404 -0.81 . . . . 63.13 111.415 -173.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.74 27.21 73.53 Favored Glycine 0 C--O 1.246 0.849 0 CA-C-O 118.349 -1.251 . . . . 73.2 112.609 178.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 33.6 m -141.02 157.25 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 CA-C-N 118.553 1.177 . . . . 43.14 111.719 -178.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -86.45 101.72 13.41 Favored 'General case' 0 C--O 1.218 -0.558 0 C-N-CA 123.735 0.814 . . . . 70.33 111.018 177.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -62.46 117.6 32.55 Favored Pre-proline 0 C--O 1.239 0.545 0 C-N-CA 120.726 -0.39 . . . . 74.44 110.463 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -65.67 117.53 4.7 Favored 'Trans proline' 0 C--N 1.35 0.616 0 N-CA-C 113.672 0.605 . . . . 71.2 113.672 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 17.8 tt -59.38 -26.84 35.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-O 121.598 0.713 . . . . 71.53 112.522 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -67.39 -33.72 75.78 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 121.513 -0.742 . . . . 74.44 111.07 176.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -39.03 63.57 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 108.458 -0.941 . . . . 54.04 108.458 177.337 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 27.2 tp -60.04 -44.2 94.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.847 -0.615 . . . . 72.22 110.756 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.1 m-30 -73.25 -26.68 61.21 Favored 'General case' 0 C--N 1.319 -0.725 0 O-C-N 121.684 -0.635 . . . . 72.32 111.793 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.6 m -74.98 -25.99 59.25 Favored 'General case' 0 N--CA 1.48 1.075 0 O-C-N 122.032 -0.418 . . . . 73.23 111.058 177.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.4 p -153.46 88.53 3.68 Favored Pre-proline 0 CA--C 1.547 0.854 0 N-CA-C 107.995 -1.113 . . . . 63.55 107.995 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -81.3 35.41 0.58 Allowed 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.604 2.203 . . . . 74.53 114.161 -174.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.4 p -120.39 153.76 56.2 Favored Pre-proline 0 N--CA 1.447 -0.588 0 N-CA-C 106.299 -1.741 . . . . 75.52 106.299 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.82 -38.3 10.31 Favored 'Trans proline' 0 C--O 1.213 -0.73 0 C-N-CA 115.86 -2.293 . . . . 60.43 113.829 -172.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.19 -21.42 42.99 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 120.88 -1.138 . . . . 62.11 111.45 177.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.69 -46.94 28.77 Favored Glycine 0 C--O 1.223 -0.545 0 C-N-CA 121.271 -0.49 . . . . 72.41 111.887 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.4 p -64.56 -36.26 76.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.193 -0.669 . . . . 72.15 109.193 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.53 -49.53 77.41 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 121.694 0.759 . . . . 54.43 111.851 179.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.3 mtt85 -69.42 -36.63 76.89 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 121.381 -0.824 . . . . 44.34 110.298 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.06 -33.6 75.86 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 113.0 0.741 . . . . 72.01 113.0 -176.584 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.0 pp . . . . . 0 N--CA 1.472 0.626 0 O-C-N 123.529 0.518 . . . . 75.23 111.916 178.017 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.217 -0.609 0 N-CA-C 109.276 -0.638 . . . . 64.12 109.276 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -54.17 -46.94 72.47 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 112.97 0.73 . . . . 73.4 112.97 -176.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -68.8 -24.96 64.46 Favored 'General case' 0 C--O 1.27 2.154 0 N-CA-C 113.169 0.803 . . . . 74.44 113.169 -173.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.7 t -76.72 -49.17 24.47 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 N-CA-C 107.197 -1.408 . . . . 62.02 107.197 177.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.3 mt -58.15 -42.88 86.86 Favored 'General case' 0 C--O 1.214 -0.794 0 N-CA-C 108.4 -0.963 . . . . 72.52 108.4 -175.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -47.16 86.77 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.558 0.694 . . . . 75.2 112.637 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.91 -43.5 79.11 Favored 'General case' 0 C--O 1.201 -1.453 0 N-CA-C 108.11 -1.07 . . . . 73.11 108.11 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.36 -31.87 73.14 Favored 'General case' 0 CA--C 1.564 1.501 0 O-C-N 121.071 -1.018 . . . . 62.44 110.8 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -60.36 -45.53 93.14 Favored 'General case' 0 C--O 1.201 -1.495 0 N-CA-C 104.905 -2.257 . . . . 64.54 104.905 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.81 -47.22 85.54 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-O 119.208 -0.425 . . . . 64.32 111.256 -178.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -62.83 -35.11 78.86 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 123.347 1.546 . . . . 64.33 113.731 -174.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.9 mm -88.01 -40.14 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.053 0 CA-C-N 114.157 -1.383 . . . . 73.31 111.445 -175.21 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.0 mt -81.76 -24.35 36.09 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 124.605 1.191 . . . . 64.35 110.183 -178.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.49 29.04 60.44 Favored Glycine 0 C--O 1.217 -0.951 0 C-N-CA 120.205 -0.998 . . . . 73.3 112.543 176.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.9 m -101.19 154.98 4.62 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.156 0 CA-C-O 122.015 0.912 . . . . 75.35 111.044 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -68.52 -32.15 71.9 Favored 'General case' 0 N--CA 1.512 2.627 0 N-CA-C 113.05 0.759 . . . . 61.34 113.05 -172.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -150.38 156.79 42.16 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 109.014 -0.736 . . . . 72.31 109.014 -175.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.9 t -140.0 126.28 22.25 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.203 0 O-C-N 125.516 1.76 . . . . 34.33 111.887 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.49 164.89 30.8 Favored Glycine 0 CA--C 1.537 1.413 0 N-CA-C 108.127 -1.989 . . . . 71.42 108.127 178.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.7 m -62.01 -25.21 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 O-C-N 121.947 -0.737 . . . . 51.34 111.705 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -110.42 18.93 19.31 Favored 'General case' 0 C--O 1.197 -1.674 0 N-CA-C 114.843 1.423 . . . . 74.44 114.843 -178.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.52 134.33 35.2 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 119.399 -0.92 . . . . 72.44 108.999 -177.34 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.71 127.88 33.84 Favored 'General case' 0 CA--C 1.554 1.108 0 O-C-N 121.194 -0.941 . . . . 62.31 112.009 -176.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -53.53 -45.26 69.73 Favored 'General case' 0 C--N 1.311 -1.069 0 O-C-N 120.519 -1.363 . . . . 53.31 112.755 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -73.74 -22.6 59.83 Favored 'General case' 0 C--O 1.208 -1.088 0 N-CA-C 112.667 0.617 . . . . 60.21 112.667 -177.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -75.85 -28.63 58.3 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 123.779 1.752 . . . . 72.2 108.362 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 mp -87.77 12.6 12.49 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 113.501 -1.681 . . . . 72.15 112.712 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.4 26.31 16.09 Favored Glycine 0 N--CA 1.48 1.569 0 CA-C-O 123.516 1.62 . . . . 72.14 113.722 178.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -77.18 167.9 54.42 Favored Glycine 0 C--O 1.246 0.875 0 O-C-N 120.626 -1.514 . . . . 65.31 114.758 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.0 t -152.22 162.57 40.95 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 112.68 -1.76 . . . . 44.22 109.159 177.174 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.74 -29.5 64.59 Favored 'General case' 0 C--O 1.251 1.154 0 N-CA-C 112.804 0.668 . . . . 61.41 112.804 176.277 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.29 -40.32 81.81 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 122.477 1.132 . . . . 74.31 109.542 172.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.1 tp -71.28 -31.57 67.63 Favored 'General case' 0 C--N 1.31 -1.136 0 O-C-N 121.619 -0.676 . . . . 75.11 111.196 -177.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.0 -25.06 63.32 Favored 'General case' 0 CA--C 1.559 1.307 0 N-CA-C 113.005 0.743 . . . . 64.15 113.005 176.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 65.7 mtt -64.68 -33.83 76.88 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 122.784 1.278 . . . . 71.31 108.439 -178.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -71.11 -39.06 72.29 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-N 114.302 -1.317 . . . . 73.35 110.262 -178.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 32.8 tp -61.6 -48.72 79.66 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-N 115.363 -0.835 . . . . 71.32 109.113 175.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.2 mt -58.36 -37.8 65.68 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.866 0 N-CA-C 113.396 0.888 . . . . 53.41 113.396 177.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.78 -38.02 79.73 Favored 'General case' 0 C--O 1.211 -0.951 0 C-N-CA 120.412 -0.515 . . . . 70.24 110.653 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -70.68 -33.76 71.26 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 121.15 -0.22 . . . . 73.23 110.964 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 55.5 mt -60.69 -29.56 45.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 O-C-N 124.003 0.815 . . . . 75.32 113.151 174.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.3 mtt180 -64.78 -29.89 70.88 Favored 'General case' 0 C--O 1.204 -1.333 0 C-N-CA 118.84 -1.144 . . . . 73.41 111.983 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -79.64 -35.06 39.9 Favored 'General case' 0 C--O 1.196 -1.733 0 N-CA-C 108.055 -1.091 . . . . 71.42 108.055 -178.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -87.42 -44.54 11.27 Favored 'General case' 0 C--O 1.204 -1.295 0 N-CA-C 117.066 2.247 . . . . 63.34 117.066 -174.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.5 mt -107.77 -4.27 18.28 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 108.731 -0.84 . . . . 54.23 108.731 -174.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.56 28.86 73.59 Favored Glycine 0 C--N 1.295 -1.724 0 CA-C-N 113.242 -1.799 . . . . 72.41 115.968 175.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.6 m -149.98 159.0 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 N-CA-C 108.095 -1.076 . . . . 63.13 108.095 -178.297 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -83.05 115.0 21.67 Favored 'General case' 0 C--N 1.308 -1.204 0 O-C-N 123.552 0.532 . . . . 73.25 110.129 169.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -64.0 124.84 86.5 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 113.489 0.922 . . . . 75.15 113.489 -178.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -66.94 123.8 11.44 Favored 'Trans proline' 0 N--CA 1.484 0.966 0 C-N-CA 115.253 -2.698 . . . . 73.24 113.245 177.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.9 tt -64.55 -19.79 25.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 113.0 0.741 . . . . 52.33 113.0 -175.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -65.55 -41.69 92.7 Favored 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 120.353 -0.539 . . . . 70.51 109.982 178.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -67.19 -41.95 85.0 Favored 'General case' 0 CA--C 1.494 -1.203 0 CA-C-O 122.528 1.156 . . . . 64.13 110.598 -178.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.53 -50.26 74.24 Favored 'General case' 0 C--O 1.211 -0.973 0 CA-C-N 114.327 -1.306 . . . . 73.15 109.602 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -68.71 -34.43 75.63 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 119.91 -1.744 . . . . 64.45 110.135 -175.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.0 m -70.93 -21.55 62.35 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 113.475 0.917 . . . . 61.41 113.475 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.8 m -145.93 80.32 10.5 Favored Pre-proline 0 N--CA 1.481 1.08 0 N-CA-C 109.305 -0.628 . . . . 54.43 109.305 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -76.07 30.64 0.39 Allowed 'Trans proline' 0 C--O 1.253 1.268 0 N-CA-C 118.175 2.337 . . . . 61.23 118.175 -173.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.5 p -117.28 153.37 49.97 Favored Pre-proline 0 C--O 1.205 -1.282 0 N-CA-C 105.617 -1.994 . . . . 72.3 105.617 176.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -66.18 -33.69 39.17 Favored 'Trans proline' 0 CA--C 1.559 1.736 0 C-N-CA 116.354 -1.964 . . . . 64.22 114.697 -176.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.67 -25.19 49.36 Favored 'General case' 0 C--O 1.255 1.39 0 CA-C-O 122.454 1.121 . . . . 73.3 112.515 173.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.48 -45.23 91.03 Favored Glycine 0 C--O 1.219 -0.81 0 CA-C-N 113.024 -1.898 . . . . 70.53 109.16 176.248 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.8 t -58.19 -43.3 85.39 Favored 'Isoleucine or valine' 0 C--O 1.258 1.54 0 N-CA-C 108.926 -0.768 . . . . 70.53 108.926 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.82 -39.57 85.53 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.582 -0.735 . . . . 55.23 111.025 -175.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.3 mmm-85 -80.41 -41.37 24.68 Favored 'General case' 0 C--O 1.212 -0.913 0 CA-C-O 123.068 1.413 . . . . 74.22 110.465 -176.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.08 -39.9 87.67 Favored 'General case' 0 C--O 1.21 -1.014 0 CA-C-N 114.787 -1.097 . . . . 73.35 110.916 -177.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 CA--C 1.549 0.935 0 O-C-N 119.601 -1.937 . . . . 72.21 109.441 177.668 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.79 0 CA-C-O 118.398 -1.223 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.51 163.82 36.05 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 96.2 mtp -78.91 150.17 32.2 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 123.38 0.425 . . . . 0.0 109.914 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.96 154.16 33.85 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 176.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -68.78 156.79 37.68 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 176.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.16 137.61 95.76 Favored Pre-proline 0 CA--C 1.539 0.523 0 N-CA-C 106.635 -1.617 . . . . 0.0 106.635 174.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -78.25 161.15 29.19 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 117.826 -0.983 . . . . 0.0 114.18 -176.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -81.71 104.0 11.8 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 171.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.6 m -84.35 -179.6 7.22 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.125 0.488 . . . . 0.0 111.61 -175.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.37 -33.57 75.82 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.9 m -56.78 -45.29 82.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.353 0.597 . . . . 0.0 112.053 -176.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -58.57 -34.93 71.62 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.752 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -71.07 -38.78 72.47 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 119.418 -0.325 . . . . 0.0 111.152 -177.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.6 t -67.1 -43.95 88.4 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.861 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.7 mt -62.95 -41.35 99.49 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.415 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.0 m -57.3 -46.82 82.8 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.598 0.237 . . . . 0.0 111.043 174.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.41 -37.01 79.93 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 121.387 -0.82 . . . . 0.0 111.141 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 43.8 mt -66.24 -32.93 74.65 Favored 'General case' 0 C--O 1.214 -0.785 0 O-C-N 121.858 -0.526 . . . . 0.0 111.215 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -59.85 -47.67 84.78 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 174.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.72 -35.89 79.35 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -176.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -65.65 -35.64 81.37 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.485 0.659 . . . . 0.0 111.919 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.3 mm -85.83 -33.62 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.077 0 CA-C-O 122.462 1.125 . . . . 0.0 112.441 -174.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.8 mt -93.92 -25.07 17.45 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 114.231 1.196 . . . . 0.0 114.231 -175.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.72 32.55 57.09 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 120.296 -0.954 . . . . 0.0 113.759 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.8 m -105.83 154.59 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -179.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -64.55 -44.87 89.41 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.604 0.716 . . . . 0.0 111.827 -177.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 87.7 mtt-85 -139.21 157.3 46.17 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.581 -174.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.4 t -136.18 123.23 32.95 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.092 0 O-C-N 127.491 2.994 . . . . 0.0 107.51 175.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.38 168.74 54.04 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 108.989 -1.644 . . . . 0.0 108.989 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -69.45 -20.96 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 121.205 -1.174 . . . . 0.0 111.126 178.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -115.67 20.4 14.67 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -177.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.87 126.64 30.88 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.16 -0.616 . . . . 0.0 111.88 -174.345 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.87 115.79 17.89 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.21 0.528 . . . . 0.0 110.804 -176.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -49.78 -41.58 44.65 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.859 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.4 p80 -72.31 -26.25 61.87 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -176.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -84.75 -22.96 29.46 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -177.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.9 mt -79.23 11.57 2.8 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.731 174.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.17 4.16 66.91 Favored Glycine 0 C--N 1.331 0.29 0 CA-C-O 121.359 0.422 . . . . 0.0 114.124 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.71 147.38 48.22 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-O 122.486 1.048 . . . . 0.0 115.066 -178.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 79.6 p -137.98 170.29 16.31 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.6 m -61.98 -29.51 70.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.05 0.452 . . . . 0.0 111.203 177.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.32 -34.76 78.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.528 178.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.9 mt -83.97 -34.24 24.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.768 0.318 . . . . 0.0 110.733 176.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.18 -36.8 75.97 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -69.5 -27.24 65.02 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 121.228 -0.92 . . . . 0.0 111.998 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -75.98 -31.59 59.06 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 177.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.6 tp -67.46 -46.41 73.12 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 69.2 mt -59.8 -41.66 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.003 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.44 -45.2 94.52 Favored 'General case' 0 C--O 1.206 -1.204 0 C-N-CA 120.329 -0.548 . . . . 0.0 111.293 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 -64.24 -34.89 79.14 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 121.322 -0.861 . . . . 0.0 111.607 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.1 mt -61.99 -32.38 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.775 0 CA-C-O 121.353 0.597 . . . . 0.0 110.938 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -68.83 -30.25 68.76 Favored 'General case' 0 CA--C 1.503 -0.84 0 C-N-CA 119.576 -0.85 . . . . 0.0 112.497 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -75.74 -39.47 57.13 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 104.165 -2.531 . . . . 0.0 104.165 -174.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -90.05 -46.2 8.65 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.84 -169.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.4 mt -100.73 -7.64 23.56 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-O 121.093 0.473 . . . . 0.0 110.769 -174.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.23 16.83 78.61 Favored Glycine 0 N--CA 1.465 0.625 0 CA-C-N 115.421 -0.809 . . . . 0.0 115.113 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.0 m -139.04 156.19 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 118.066 0.933 . . . . 0.0 111.132 -176.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -84.17 122.73 29.25 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -73.61 120.9 83.58 Favored Pre-proline 0 CA--C 1.543 0.711 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -68.42 106.63 1.45 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 CA-C-O 121.469 0.529 . . . . 0.0 112.809 177.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.7 tt -56.05 -26.36 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -175.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.2 mmm-85 -63.7 -34.63 78.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 120.716 -1.24 . . . . 0.0 110.458 175.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -75.44 -31.85 60.47 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.5 tp -65.5 -41.79 92.81 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 177.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -70.88 -38.24 73.06 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.106 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.3 t -71.77 -28.0 63.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.876 0.37 . . . . 0.0 111.489 -178.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.2 m -142.39 83.88 11.72 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -79.11 32.67 0.47 Allowed 'Trans proline' 0 N--CA 1.48 0.726 0 C-N-CA 121.857 1.705 . . . . 0.0 114.492 -176.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 81.6 p -120.72 153.71 56.95 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 176.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.25 -31.78 17.71 Favored 'Trans proline' 0 CA--C 1.535 0.566 0 C-N-CA 115.593 -2.471 . . . . 0.0 114.401 -173.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.9 -29.21 35.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 121.357 -0.84 . . . . 0.0 109.76 175.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.56 -49.85 53.17 Favored Glycine 0 CA--C 1.5 -0.865 0 C-N-CA 120.192 -1.004 . . . . 0.0 110.674 -177.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.51 -36.93 77.37 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.304 0 CA-C-O 119.49 -0.29 . . . . 0.0 110.369 -176.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.85 -44.14 97.43 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 123.862 0.726 . . . . 0.0 111.682 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -77.36 -31.6 54.45 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.442 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.22 -49.27 67.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.032 0.444 . . . . 0.0 112.104 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.33 -30.93 71.82 Favored 'General case' 0 C--O 1.218 -0.59 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.2 177.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.72 -38.02 85.85 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.773 177.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.89 -34.42 76.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.984 0.421 . . . . 0.0 110.056 178.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -65.19 -26.94 68.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.963 -0.46 . . . . 0.0 111.063 176.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.3 m -95.43 0.91 53.86 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.07 154.3 39.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.378 0.609 . . . . 0.0 110.35 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.8 t -73.94 -4.36 34.69 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -178.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 67.5 p-90 -152.27 153.35 33.56 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 105.663 -1.977 . . . . 0.0 105.663 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 64.0 p -159.63 159.44 33.13 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -92.99 148.62 36.13 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 172.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -70.66 150.14 62.27 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 116.067 -2.155 . . . . 0.0 111.259 176.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -141.66 136.52 30.99 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -84.52 141.18 30.93 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 176.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -139.93 153.47 46.95 Favored 'General case' 0 C--O 1.207 -1.161 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 175.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.3 -1.563 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 176.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 CA-C-O 118.419 -1.212 . . . . 54.14 111.261 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.87 149.27 50.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 118.45 1.125 . . . . 55.43 108.07 176.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.3 tpt -79.59 135.53 36.62 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.261 -0.644 . . . . 73.25 109.261 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.02 149.25 32.24 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.668 -0.864 . . . . 54.51 108.668 177.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -64.6 142.81 58.3 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.018 -0.734 . . . . 75.44 109.018 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.79 151.97 70.54 Favored Pre-proline 0 CA--C 1.545 0.779 0 N-CA-C 109.717 -0.475 . . . . 73.12 109.717 174.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.49 147.29 64.25 Favored 'Trans proline' 0 C--N 1.349 0.576 0 N-CA-C 115.829 1.434 . . . . 61.31 115.829 -175.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -99.81 112.41 24.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.592 -1.186 . . . . 71.11 109.461 173.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.4 t -148.49 168.8 21.75 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.681 -1.229 . . . . 72.35 107.681 174.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.39 -44.1 88.82 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.842 0.682 . . . . 75.21 112.842 -174.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.4 m -60.08 -44.91 94.44 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-O 121.131 0.491 . . . . 74.42 110.541 -177.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.16 -40.04 80.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.854 -0.612 . . . . 70.12 111.045 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -68.4 -35.85 78.27 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.089 0.403 . . . . 74.0 112.089 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.4 t -67.18 -45.1 87.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 107.876 -1.157 . . . . 74.41 107.876 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.4 mt -64.42 -37.98 89.43 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 116.057 -0.52 . . . . 73.13 111.68 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.4 m -58.38 -46.86 85.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.31 -0.244 . . . . 70.21 110.97 174.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.53 -33.69 74.54 Favored 'General case' 0 C--O 1.218 -0.596 0 O-C-N 121.627 -0.671 . . . . 71.43 110.061 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.06 -37.58 88.03 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 119.278 -0.391 . . . . 73.35 110.762 176.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -60.54 -45.01 95.47 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 107.126 -1.435 . . . . 73.35 107.126 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.52 -36.36 80.32 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 114.719 1.377 . . . . 41.12 114.719 -175.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.0 -32.95 69.91 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.823 -0.548 . . . . 72.43 109.853 -177.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.8 mm -84.91 -36.89 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.508 0 N-CA-C 113.693 0.997 . . . . 71.42 113.693 -176.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.2 mt -88.63 -18.25 28.37 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 124.015 0.926 . . . . 54.43 111.924 -177.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.18 32.89 51.05 Favored Glycine 0 C--O 1.226 -0.404 0 C-N-CA 121.152 -0.547 . . . . 74.22 113.092 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.7 m -115.55 154.15 17.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 122.473 -0.428 . . . . 73.54 110.357 -178.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' HB2' ' HE ' ' A' ' 27' ' ' ARG . 94.0 mt-10 -68.61 -34.95 76.66 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 114.456 1.28 . . . . 65.02 114.456 -176.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.446 ' HE ' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -146.35 158.06 43.85 Favored 'General case' 0 CA--C 1.494 -1.2 0 O-C-N 121.971 -0.456 . . . . 75.2 110.103 -173.443 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.66 137.88 31.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.31 -0.859 . . . . 74.32 109.32 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.35 164.19 39.83 Favored Glycine 0 CA--C 1.518 0.254 0 O-C-N 121.464 -0.773 . . . . 60.01 112.047 175.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -66.66 -22.81 30.3 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.986 0 O-C-N 121.658 -0.907 . . . . 41.35 112.91 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.99 22.85 12.29 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 120.935 0.397 . . . . 62.32 111.092 179.134 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.73 133.01 47.01 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.48 -0.488 . . . . 71.01 110.326 -175.342 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.43 123.16 27.27 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.524 -0.47 . . . . 60.31 109.791 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -51.64 -39.93 59.03 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.287 0.477 . . . . 62.55 112.287 -178.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -79.0 -14.32 59.27 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 114.863 1.431 . . . . 71.32 114.863 -177.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -71.48 -34.37 70.12 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.695 0.759 . . . . 61.32 109.319 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -82.11 20.1 1.07 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.193 -0.912 . . . . 52.03 110.683 176.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.1 9.72 83.74 Favored Glycine 0 C--O 1.239 0.446 0 O-C-N 121.945 -0.472 . . . . 64.14 113.243 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.8 132.85 49.57 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-O 122.093 0.829 . . . . 50.0 112.69 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.8 m -122.2 165.37 16.26 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.072 -0.564 . . . . 75.32 109.501 -176.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 t -55.9 -36.97 68.25 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.118 0.414 . . . . 62.44 112.118 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.95 -37.58 88.13 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.8 -0.563 . . . . 74.25 111.708 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.5 mt -71.99 -31.18 66.0 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.146 -0.346 . . . . 75.42 110.678 178.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.29 -34.55 75.4 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 116.488 -0.324 . . . . 63.15 110.344 177.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 89.0 mtp -65.38 -31.97 73.36 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 121.427 0.632 . . . . 63.02 110.582 177.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -75.82 -36.53 59.64 Favored 'General case' 0 C--O 1.205 -1.255 0 CA-C-O 121.156 0.503 . . . . 74.33 110.376 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 41.9 tp -58.45 -47.44 84.0 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.475 -1.239 . . . . 53.11 108.841 177.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 57.3 mt -60.45 -38.84 79.26 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 CA-C-N 114.647 -1.161 . . . . 71.35 110.309 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.53 -42.43 98.81 Favored 'General case' 0 C--O 1.207 -1.145 0 C-N-CA 120.396 -0.522 . . . . 72.43 110.98 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 72.3 mtt-85 -67.73 -31.53 71.52 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 113.648 0.981 . . . . 74.5 113.648 178.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.1 mt -61.67 -32.82 54.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 O-C-N 121.445 -0.784 . . . . 73.23 110.28 176.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -66.38 -29.63 69.84 Favored 'General case' 0 C--O 1.219 -0.52 0 O-C-N 121.337 -0.852 . . . . 74.35 112.505 175.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -81.52 -33.94 31.51 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.479 -0.563 . . . . 73.52 109.479 -175.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -91.22 -52.02 5.02 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 115.021 1.489 . . . . 53.15 115.021 -176.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.6 mt -96.61 -8.18 32.38 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 122.43 1.109 . . . . 74.22 109.976 -173.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.77 19.56 79.37 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 114.752 -1.113 . . . . 70.22 114.784 177.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.0 m -140.83 153.25 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-O 121.35 0.595 . . . . 72.43 111.358 -175.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -83.93 109.57 17.71 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.242 -0.651 . . . . 72.32 109.242 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.5 tp -65.94 123.78 85.9 Favored Pre-proline 0 C--N 1.327 -0.403 0 C-N-CA 119.933 -0.707 . . . . 71.23 109.196 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -64.81 123.4 11.61 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 117.878 -0.948 . . . . 73.41 110.015 171.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.0 tt -60.96 -24.29 32.4 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-O 121.336 0.589 . . . . 60.31 111.365 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.2 tpp85 -63.5 -34.55 78.02 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 121.577 -0.702 . . . . 74.11 110.462 176.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -68.28 -36.37 79.29 Favored 'General case' 0 N--CA 1.432 -1.33 0 CA-C-N 119.287 0.949 . . . . 43.51 109.455 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.9 tp -65.68 -43.77 88.24 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.523 0.678 . . . . 61.42 109.704 178.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -69.86 -24.34 63.42 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.835 -0.541 . . . . 63.11 112.111 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.7 m -82.08 -23.72 35.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.073 0.464 . . . . 74.42 110.648 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.6 m -153.2 92.38 3.26 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 109.637 -0.505 . . . . 63.12 109.637 -178.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -80.06 18.86 1.1 Allowed 'Trans proline' 0 CA--C 1.539 0.761 0 N-CA-C 115.978 1.492 . . . . 43.43 115.978 -174.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 39.8 p -111.43 155.84 42.22 Favored Pre-proline 0 CA--C 1.51 -0.579 0 CA-C-N 118.551 0.614 . . . . 74.11 109.754 178.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -68.89 -32.87 21.54 Favored 'Trans proline' 0 C--O 1.252 1.216 0 C-N-CA 115.297 -2.669 . . . . 74.35 113.141 -174.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -79.33 -28.31 42.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 119.864 1.211 . . . . 71.34 112.101 174.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.03 -47.99 69.22 Favored Glycine 0 CA--C 1.5 -0.888 0 N-CA-C 110.407 -1.077 . . . . 75.51 110.407 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.2 p -66.09 -33.7 65.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 C-N-CA 121.34 -0.144 . . . . 42.11 111.307 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.74 -44.39 97.0 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.019 0.928 . . . . 71.34 109.582 176.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 65.2 mtm180 -66.64 -42.14 87.17 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 120.974 -1.079 . . . . 71.33 109.604 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.02 -44.93 87.57 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.646 -0.706 . . . . 42.31 112.81 -176.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.4 pp -73.64 -33.69 64.64 Favored 'General case' 0 C--N 1.314 -0.956 0 O-C-N 121.983 -0.448 . . . . 72.21 110.117 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.14 -44.11 96.48 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.084 -0.646 . . . . 61.1 110.17 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.54 -40.39 96.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 63.31 110.466 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -63.82 -39.47 94.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.635 -0.257 . . . . 72.21 111.255 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.3 t -73.52 -34.17 65.1 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.939 -0.304 . . . . 55.51 110.999 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.35 -20.75 63.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.126 0.489 . . . . 53.14 111.34 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.0 m -81.19 -10.42 59.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.133 -0.485 . . . . 73.53 112.258 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 90.1 m95 50.01 32.26 5.56 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.43 0.692 . . . . 74.04 112.671 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.3 m -64.56 127.93 33.63 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.825 0.676 . . . . 75.53 112.825 -174.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -63.27 151.04 87.92 Favored Pre-proline 0 C--O 1.242 0.704 0 CA-C-N 115.922 -0.581 . . . . 73.44 109.666 176.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -73.34 155.49 51.07 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 116.816 -1.656 . . . . 64.3 111.51 178.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -77.94 -20.98 51.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.996 0.427 . . . . 72.13 110.828 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -113.79 133.91 55.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.92 -0.582 . . . . 73.41 109.854 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -94.13 148.93 21.71 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 106.153 -1.795 . . . . 73.41 106.153 173.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.874 0 N-CA-C 107.462 -1.31 . . . . 74.21 107.462 -173.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.21 -1.367 0 CA-C-O 118.497 -1.168 . . . . 52.44 111.224 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.35 -30.39 61.99 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.215 1.007 . . . . 52.35 109.123 176.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 93.3 mmm -80.67 149.75 29.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.727 -0.669 . . . . 64.1 109.834 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.15 148.55 48.55 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.243 -1.392 . . . . 72.24 107.243 173.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -65.95 116.35 7.0 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.923 -0.311 . . . . 62.23 110.402 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.52 156.11 64.66 Favored Pre-proline 0 C--O 1.252 1.191 0 CA-C-N 116.214 -0.448 . . . . 54.45 111.448 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -72.21 158.05 52.63 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 118.175 -0.75 . . . . 70.44 110.639 172.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -75.93 125.09 28.45 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.038 0.385 . . . . 75.22 112.038 -178.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.1 m -95.11 149.92 20.76 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.276 -1.009 . . . . 74.45 108.276 168.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.49 -36.82 74.36 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 112.56 0.578 . . . . 73.3 112.56 -177.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.3 m -73.19 -38.79 66.01 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.863 0.363 . . . . 72.41 110.956 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -59.06 -44.54 91.84 Favored 'General case' 0 CA--C 1.505 -0.787 0 N-CA-C 113.036 0.754 . . . . 71.0 113.036 -175.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -62.98 -32.99 74.45 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 119.572 -0.851 . . . . 61.22 112.449 -175.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.8 t -70.45 -49.77 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 N-CA-C 109.896 -0.409 . . . . 61.02 109.896 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 pp -69.76 -30.51 68.11 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.51 -0.476 . . . . 53.4 111.668 -178.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.5 m -63.22 -45.09 93.25 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 121.986 -0.446 . . . . 71.21 110.705 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.04 86.29 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.756 -0.59 . . . . 54.54 109.802 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 mp -63.46 -38.57 91.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.969 -0.559 . . . . 70.44 110.566 177.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -57.01 -45.41 83.08 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 106.941 -1.503 . . . . 72.42 106.941 177.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.71 -39.06 87.16 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 113.985 1.106 . . . . 72.4 113.985 -176.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -67.64 -41.76 83.36 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.823 0.675 . . . . 73.44 112.823 177.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 30.0 mm -76.11 -36.82 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.033 0 CA-C-N 114.863 -1.062 . . . . 73.23 111.694 -173.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 mt -91.74 -19.15 22.91 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.375 -0.83 . . . . 72.55 112.271 -177.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.25 34.76 54.29 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.758 -0.734 . . . . 33.34 113.046 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.2 m -111.67 153.3 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-O 121.038 0.447 . . . . 62.23 111.113 -177.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -67.71 -32.06 72.43 Favored 'General case' 0 C--O 1.275 2.405 0 N-CA-C 113.595 0.961 . . . . 54.45 113.595 -174.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.296 43.0 ttp180 -152.8 157.64 41.07 Favored 'General case' 0 N--CA 1.417 -2.097 0 N-CA-C 105.754 -1.943 . . . . 72.34 105.754 -171.242 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.3 t -134.0 129.71 54.54 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 CA-C-O 122.819 1.295 . . . . 75.04 113.405 172.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.61 169.57 27.43 Favored Glycine 0 N--CA 1.439 -1.152 0 O-C-N 119.591 -1.943 . . . . 75.05 113.572 172.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -66.4 -23.72 32.09 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 N-CA-C 114.977 1.473 . . . . 74.11 114.977 177.465 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -98.71 3.66 47.7 Favored 'General case' 0 N--CA 1.437 -1.1 0 N-CA-C 115.281 1.586 . . . . 71.25 115.281 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.33 116.84 18.27 Favored 'General case' 0 C--N 1.308 -1.225 0 O-C-N 120.954 -1.091 . . . . 62.31 110.331 -169.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.56 132.72 37.27 Favored 'General case' 0 C--O 1.21 -0.984 0 CA-C-O 122.076 0.941 . . . . 64.43 108.497 -176.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -55.85 -37.25 68.5 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.455 -1.248 . . . . 72.32 109.503 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -78.46 -18.45 54.86 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 120.942 -1.099 . . . . 72.24 113.802 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -81.25 -30.17 34.21 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 106.893 -1.521 . . . . 73.24 106.893 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 78.3 mt -82.55 19.46 1.27 Allowed 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 114.616 -1.175 . . . . 74.43 111.577 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.04 2.78 88.13 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 116.195 1.238 . . . . 73.32 116.195 176.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.76 150.34 49.21 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 115.017 0.767 . . . . 70.15 115.017 -178.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 84.9 p -126.03 170.73 11.44 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 122.875 0.47 . . . . 75.51 109.796 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.1 p -65.3 -30.6 71.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.965 0.412 . . . . 61.34 110.725 177.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.14 -43.62 77.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.395 0.617 . . . . 75.34 109.458 176.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.0 tp -67.55 -32.26 72.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.907 -0.588 . . . . 62.25 110.896 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.38 -31.38 65.74 Favored 'General case' 0 C--O 1.205 -1.239 0 N-CA-C 112.602 0.593 . . . . 74.25 112.602 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.5 mmt -62.27 -31.69 72.3 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 121.71 0.767 . . . . 75.15 110.923 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -75.14 -35.33 61.67 Favored 'General case' 0 CA--C 1.507 -0.694 0 O-C-N 121.667 -0.646 . . . . 74.3 109.973 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 53.0 tp -62.08 -47.35 85.06 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 107.936 -1.135 . . . . 55.55 107.936 177.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 71.2 mt -60.4 -43.59 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-N 115.41 -0.814 . . . . 73.42 109.338 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.84 96.2 Favored 'General case' 0 C--O 1.21 -1.015 0 C-N-CA 121.354 -0.138 . . . . 63.12 111.15 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.58 -39.46 93.78 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 120.942 0.401 . . . . 74.22 111.754 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 79.7 mt -62.04 -29.78 47.24 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.112 0 N-CA-C 112.448 0.536 . . . . 52.23 112.448 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -66.19 -31.39 72.2 Favored 'General case' 0 C--O 1.172 -3.005 0 N-CA-C 112.836 0.68 . . . . 74.54 112.836 177.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -78.52 -38.98 39.31 Favored 'General case' 0 CA--C 1.487 -1.465 0 N-CA-C 106.241 -1.763 . . . . 75.23 106.241 -176.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -82.23 -43.59 17.43 Favored 'General case' 0 CA--C 1.562 1.441 0 CA-C-O 121.677 0.751 . . . . 70.24 112.062 -170.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.2 mt -112.88 -4.7 13.92 Favored 'General case' 0 C--N 1.358 0.962 0 O-C-N 121.834 -0.541 . . . . 73.31 110.38 -169.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.96 17.62 79.45 Favored Glycine 0 N--CA 1.475 1.265 0 C-N-CA 120.441 -0.885 . . . . 22.3 114.392 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.4 m -140.63 148.29 22.17 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 CA-C-O 121.661 0.743 . . . . 61.11 112.622 -177.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -77.3 117.84 19.2 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 107.644 -1.243 . . . . 75.33 107.644 173.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.3 tp -61.97 126.95 88.47 Favored Pre-proline 0 CA--C 1.539 0.521 0 N-CA-C 108.201 -1.037 . . . . 61.2 108.201 176.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -63.68 118.93 5.84 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 117.328 -1.314 . . . . 73.31 111.228 176.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.8 tt -62.51 -25.28 37.55 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 O-C-N 121.798 -0.564 . . . . 72.42 110.693 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -61.38 -41.3 96.87 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 122.084 -0.385 . . . . 75.35 110.545 175.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -69.21 -38.09 78.4 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 118.039 0.381 . . . . 72.15 110.358 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.4 tp -64.96 -43.96 90.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.503 -0.317 . . . . 74.03 110.623 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.4 m-30 -69.88 -31.32 69.07 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.201 0.445 . . . . 72.24 112.201 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.0 m -76.11 -22.94 54.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.128 0.49 . . . . 31.52 111.563 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 65.6 m -150.23 86.31 5.22 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.521 -0.308 . . . . 74.34 110.276 -178.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -78.6 24.37 0.57 Allowed 'Trans proline' 0 CA--C 1.539 0.773 0 N-CA-C 116.02 1.508 . . . . 75.23 116.02 -176.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.6 p -115.75 155.09 48.02 Favored Pre-proline 0 C--O 1.237 0.417 0 N-CA-C 106.992 -1.484 . . . . 63.32 106.992 175.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -66.85 -36.41 23.61 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 N-CA-C 114.527 0.934 . . . . 75.03 114.527 -177.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.6 -31.46 63.58 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 121.416 -0.803 . . . . 61.13 109.791 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.4 -49.97 41.44 Favored Glycine 0 N--CA 1.442 -0.949 0 N-CA-C 110.285 -1.126 . . . . 72.31 110.285 -177.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.0 p -66.28 -32.45 58.12 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.561 0 O-C-N 122.128 -0.631 . . . . 71.13 110.592 -177.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.24 -48.92 77.84 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 120.278 -0.569 . . . . 73.13 112.138 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.9 ptt-85 -69.56 -32.29 70.99 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 119.5 -0.88 . . . . 71.03 109.688 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.97 -41.01 78.5 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 121.093 0.473 . . . . 74.12 111.167 -177.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 pp -77.16 -29.84 54.72 Favored 'General case' 0 C--N 1.317 -0.846 0 O-C-N 122.034 -0.416 . . . . 41.43 111.352 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.56 -35.15 73.7 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.67 0.271 . . . . 71.43 111.078 177.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.17 -27.67 68.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.079 0.466 . . . . 73.41 111.792 178.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -77.18 -11.11 59.78 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 112.971 0.73 . . . . 55.34 112.971 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.3 t -67.4 -34.25 76.87 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.639 -0.504 . . . . 71.35 109.639 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.81 -34.22 77.66 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-O 121.031 0.444 . . . . 73.41 110.427 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.1 p -89.19 3.24 52.61 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.773 0.657 . . . . 74.3 112.773 -178.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -84.59 -28.03 26.83 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.207 -1.405 . . . . 74.33 107.207 176.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.3 m -64.92 140.78 58.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.131 -0.94 . . . . 61.34 110.515 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -68.0 150.22 97.86 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.437 -0.347 . . . . 72.34 111.234 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -72.01 158.82 51.7 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 118.487 -0.542 . . . . 72.4 111.307 177.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -63.93 -33.9 76.75 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.079 0.466 . . . . 71.35 110.96 178.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -100.25 108.04 20.02 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.592 -1.633 . . . . 72.53 106.592 174.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -80.61 132.75 35.66 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.551 -0.537 . . . . 54.32 109.551 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.189 0 N-CA-C 104.648 -2.353 . . . . 74.41 104.648 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.285 0 CA-C-O 118.401 -1.222 . . . . 61.2 111.506 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.29 155.25 40.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 118.371 1.085 . . . . 71.14 108.102 175.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 65.8 mtt -87.53 149.41 24.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.809 0.338 . . . . 73.22 110.395 177.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.06 157.43 34.83 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 105.605 -1.998 . . . . 64.11 105.605 168.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -67.03 134.62 52.28 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.872 -1.159 . . . . 65.01 107.872 177.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.09 150.07 94.7 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 109.061 -0.718 . . . . 65.41 109.061 -178.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -77.9 -178.47 4.64 Favored 'Trans proline' 0 C--N 1.351 0.701 0 O-C-N 122.447 0.709 . . . . 73.02 111.5 175.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.87 153.14 44.21 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.013 -0.54 . . . . 73.15 110.97 177.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.5 t -130.19 146.68 51.84 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 122.107 0.956 . . . . 34.11 111.287 -178.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.88 -27.6 55.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.221 -0.899 . . . . 71.2 111.407 178.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.2 m -54.48 -46.3 73.35 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.088 0.773 . . . . 71.14 113.088 -172.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.01 -38.51 76.29 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 121.361 0.6 . . . . 72.01 110.533 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -73.94 -34.61 64.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.295 -0.412 . . . . 61.11 111.209 -175.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.1 t -66.97 -45.38 87.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 107.216 -1.402 . . . . 61.03 107.216 177.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.0 mt -66.27 -39.31 89.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.438 -0.346 . . . . 71.43 111.68 -178.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 49.6 m -57.89 -45.79 85.9 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.999 -0.28 . . . . 72.31 110.375 175.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.17 -39.2 82.61 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.595 0.712 . . . . 53.35 111.502 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 tp -62.01 -33.51 74.48 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.507 -0.746 . . . . 75.14 112.47 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -61.92 -44.97 95.69 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.478 -1.304 . . . . 70.41 107.478 175.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.28 -40.69 97.08 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 120.049 -0.661 . . . . 54.23 112.728 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -64.08 -32.06 73.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.409 0.623 . . . . 75.31 111.924 -178.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 34.9 mm -91.01 -37.71 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.916 0 N-CA-C 114.563 1.32 . . . . 73.12 114.563 -175.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.5 mt -89.34 -21.18 23.24 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.712 -0.676 . . . . 65.15 112.581 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.2 26.87 60.93 Favored Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.094 -1.051 . . . . 73.12 113.543 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -102.38 151.62 5.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 121.992 -0.711 . . . . 73.24 111.421 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -68.52 -29.82 68.49 Favored 'General case' 0 C--O 1.246 0.906 0 N-CA-C 112.827 0.677 . . . . 73.1 112.827 -174.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -147.16 149.72 33.53 Favored 'General case' 0 CA--C 1.505 -0.787 0 O-C-N 121.397 -0.814 . . . . 73.42 109.687 -172.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.3 t -138.65 131.13 38.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 106.502 -1.666 . . . . 70.24 106.502 175.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.64 171.48 30.5 Favored Glycine 0 CA--C 1.533 1.197 0 N-CA-C 110.017 -1.233 . . . . 43.01 110.017 175.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.1 m -71.59 -22.22 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 N-CA-C 113.198 0.814 . . . . 74.15 113.198 -177.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -111.84 17.9 19.36 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.47 -1.241 . . . . 75.32 110.3 -177.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.38 122.43 22.95 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.395 -0.522 . . . . 74.11 110.859 -176.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.62 127.25 32.66 Favored 'General case' 0 C--O 1.211 -0.935 0 N-CA-C 108.613 -0.884 . . . . 54.12 108.613 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -56.03 -35.89 67.36 Favored 'General case' 0 C--O 1.211 -0.928 0 CA-C-N 116.192 -0.458 . . . . 74.01 110.913 -178.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -79.97 -20.93 44.4 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 114.349 1.24 . . . . 74.41 114.349 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -74.13 -33.68 63.63 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 122.616 1.198 . . . . 71.43 108.202 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.2 mt -79.95 22.23 0.51 Allowed 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 114.287 -1.324 . . . . 71.21 112.76 177.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.94 27.73 52.4 Favored Glycine 0 N--CA 1.464 0.543 0 N-CA-C 114.654 0.621 . . . . 73.2 114.654 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.15 156.52 52.07 Favored Glycine 0 CA--C 1.523 0.566 0 CA-C-O 122.471 1.039 . . . . 72.41 115.636 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.7 t -143.01 158.12 43.9 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.021 -1.103 . . . . 64.14 108.021 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.8 p -63.7 -32.34 73.8 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.57 -0.9 . . . . 75.11 108.57 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.19 -29.46 70.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.162 -0.927 . . . . 63.43 110.809 178.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.5 mt -88.67 -29.08 20.17 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 122.346 -0.222 . . . . 71.15 110.988 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.21 -43.03 87.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.649 0.261 . . . . 63.42 110.404 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 27.7 ptm -69.75 -27.05 64.62 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.481 -0.488 . . . . 71.03 111.754 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -74.72 -31.39 61.83 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.232 0.539 . . . . 75.34 109.705 176.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 48.2 tp -67.86 -46.68 71.04 Favored 'General case' 0 C--O 1.212 -0.884 0 N-CA-C 108.15 -1.056 . . . . 61.15 108.15 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.6 mt -61.08 -37.9 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-N 116.253 -0.43 . . . . 64.12 110.26 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.26 99.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.139 0.495 . . . . 45.1 109.848 177.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -68.53 -32.98 73.31 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.568 0.951 . . . . 61.45 113.568 177.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.506 HG21 ' HB2' ' A' ' 59' ' ' LEU . 92.6 mt -59.23 -35.26 56.9 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 CA-C-O 122.776 1.274 . . . . 74.23 111.627 176.144 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -60.9 -28.61 69.03 Favored 'General case' 0 CA--C 1.511 -0.53 0 O-C-N 120.589 -1.319 . . . . 73.4 113.425 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -81.12 -40.22 24.37 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 106.85 -1.537 . . . . 74.41 106.85 -175.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -82.51 -52.45 6.84 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.097 -0.956 . . . . 72.21 112.474 -170.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.7 mt -96.57 -9.44 29.44 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-N 115.749 -0.66 . . . . 71.2 110.562 -175.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.65 18.91 79.64 Favored Glycine 0 C--N 1.339 0.695 0 N-CA-C 115.904 1.122 . . . . 34.1 115.904 178.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.5 m -139.1 152.05 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 121.37 0.605 . . . . 71.42 111.66 -175.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -84.22 98.39 9.92 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.991 -1.115 . . . . 74.21 107.991 175.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.506 ' HB2' HG21 ' A' ' 51' ' ' ILE . 1.5 tm? -71.11 121.03 83.01 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-O 121.373 0.606 . . . . 74.31 111.177 -174.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -61.7 132.67 41.29 Favored 'Trans proline' 0 C--N 1.345 0.394 0 N-CA-C 111.473 -0.241 . . . . 73.24 111.473 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.5 tt -61.58 -22.81 28.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 O-C-N 121.744 -0.597 . . . . 73.14 111.427 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -64.98 -33.21 75.51 Favored 'General case' 0 C--O 1.207 -1.172 0 O-C-N 121.923 -0.486 . . . . 75.24 111.091 175.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -40.79 76.59 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 108.49 -0.93 . . . . 73.13 108.49 177.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.4 tp -65.64 -46.16 80.29 Favored 'General case' 0 C--O 1.213 -0.853 0 CA-C-N 116.627 -0.261 . . . . 71.44 111.567 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -71.57 -25.4 62.18 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.703 0.631 . . . . 70.33 112.703 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.8 t -69.43 -30.8 68.82 Favored 'General case' 0 CA--C 1.509 -0.626 0 C-N-CA 120.958 -0.297 . . . . 72.12 110.723 178.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.9 m -151.5 90.06 4.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 108.847 -0.797 . . . . 64.32 108.847 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -79.23 27.81 0.51 Allowed 'Trans proline' 0 C--N 1.354 0.841 0 N-CA-C 116.278 1.607 . . . . 65.44 116.278 -173.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.0 p -116.8 152.36 48.42 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 106.364 -1.717 . . . . 72.5 106.364 178.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -66.63 -32.77 37.71 Favored 'Trans proline' 0 CA--C 1.536 0.616 0 C-N-CA 113.582 -3.812 . . . . 74.02 114.428 -173.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.92 -31.55 63.13 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 120.904 -1.123 . . . . 72.21 109.615 175.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -64.62 -44.55 94.84 Favored Glycine 0 C--O 1.222 -0.602 0 C-N-CA 120.558 -0.829 . . . . 65.12 111.762 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.1 t -57.57 -41.64 79.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 108.665 -0.865 . . . . 53.11 108.665 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.51 98.99 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-O 121.077 0.465 . . . . 74.05 111.169 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 65.7 mtm180 -68.47 -40.44 81.01 Favored 'General case' 0 C--N 1.308 -1.208 0 O-C-N 121.198 -0.939 . . . . 75.15 110.352 178.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.54 -36.8 84.89 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.996 -0.547 . . . . 74.23 111.937 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 pp -80.45 -34.74 35.74 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 122.12 -0.363 . . . . 72.33 111.531 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.21 -31.61 72.79 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.325 0.584 . . . . 63.01 111.018 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.62 -22.45 63.79 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.461 0.541 . . . . 74.32 112.461 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -65.56 -43.62 89.3 Favored 'General case' 0 C--O 1.219 -0.543 0 O-C-N 122.07 -0.394 . . . . 75.2 111.952 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.1 p -75.74 -27.02 57.96 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 110.012 -0.366 . . . . 64.14 110.012 -177.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.44 -30.38 65.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.465 -0.334 . . . . 63.42 110.735 176.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.6 m -92.5 -22.18 19.71 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 114.182 1.179 . . . . 75.22 114.182 -175.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -134.25 135.87 43.22 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 121.088 0.47 . . . . 72.32 111.962 -174.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 45.2 t -67.46 124.57 23.56 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 107.076 -1.453 . . . . 63.24 107.076 174.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -72.52 129.26 87.4 Favored Pre-proline 0 C--N 1.316 -0.87 0 CA-C-O 120.574 0.226 . . . . 74.11 110.758 -177.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.42 -9.6 16.18 Favored 'Trans proline' 0 C--N 1.349 0.593 0 N-CA-C 113.896 0.691 . . . . 51.23 113.896 -178.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -140.84 162.01 36.45 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 103.31 -2.848 . . . . 61.33 103.31 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -68.32 162.33 25.44 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.182 0.515 . . . . 73.24 110.428 -175.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -120.71 170.13 9.74 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.754 -1.573 . . . . 63.22 106.754 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp . . . . . 0 C--O 1.25 1.079 0 CA-C-O 117.042 -1.456 . . . . 55.01 111.142 -176.72 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.629 0 CA-C-O 118.61 -1.105 . . . . 30.31 111.147 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.86 153.29 44.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 118.187 0.993 . . . . 51.32 109.155 177.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 57.4 ttm -104.52 148.64 26.25 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.336 -1.357 . . . . 74.11 107.336 178.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.82 150.12 49.07 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 108.752 -0.833 . . . . 51.24 108.752 176.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -65.62 136.24 56.08 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 107.422 -1.325 . . . . 74.31 107.422 176.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.13 149.56 93.82 Favored Pre-proline 0 CA--C 1.546 0.821 0 N-CA-C 109.895 -0.409 . . . . 70.41 109.895 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -74.98 166.96 28.12 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 118.371 -0.619 . . . . 64.13 111.445 177.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.57 129.51 40.13 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.816 -0.809 . . . . 52.32 108.816 176.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.5 m -79.28 160.47 26.81 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.184 0.516 . . . . 54.2 111.437 -177.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.61 -37.18 70.32 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.553 0.575 . . . . 60.13 112.553 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.0 m -73.63 -40.78 63.53 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.088 0.47 . . . . 74.3 110.909 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -62.39 -42.0 99.08 Favored 'General case' 0 C--O 1.213 -0.863 0 CA-C-N 116.225 -0.443 . . . . 71.44 112.002 -176.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -64.23 -30.72 71.77 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 120.247 -0.581 . . . . 72.02 112.501 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.9 t -71.06 -45.69 70.93 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.56 0 N-CA-C 107.153 -1.425 . . . . 64.43 107.153 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.2 mt -63.66 -43.41 96.81 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.034 -0.53 . . . . 72.11 110.717 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.7 m -57.5 -46.49 83.7 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-O 120.739 0.304 . . . . 72.02 111.307 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.35 -36.28 74.09 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 119.834 -0.746 . . . . 72.32 111.068 -178.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mp -66.35 -31.49 72.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.134 -0.354 . . . . 53.54 111.856 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -60.06 -53.12 61.58 Favored 'General case' 0 C--O 1.203 -1.362 0 N-CA-C 106.18 -1.785 . . . . 73.45 106.18 172.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.11 -46.87 84.84 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.219 0.822 . . . . 61.14 113.219 -175.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -60.64 -33.86 73.43 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.309 0.576 . . . . 74.1 112.378 -177.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 89.9 mt -92.63 -39.89 11.63 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 N-CA-C 112.605 0.594 . . . . 71.52 112.605 -176.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.8 mt -77.54 -25.37 50.09 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.129 0.571 . . . . 74.12 111.279 -177.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.23 35.04 49.9 Favored Glycine 0 C--N 1.329 0.187 0 C-N-CA 120.486 -0.864 . . . . 53.21 112.639 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -109.02 157.23 9.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 121.216 0.531 . . . . 71.32 111.777 -176.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -63.95 -40.24 95.97 Favored 'General case' 0 C--O 1.244 0.797 0 N-CA-C 114.12 1.155 . . . . 74.31 114.12 -176.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -149.51 162.37 40.29 Favored 'General case' 0 CA--C 1.49 -1.353 0 O-C-N 121.963 -0.461 . . . . 73.45 110.483 -177.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.9 t -139.11 126.42 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.66 0 N-CA-C 106.763 -1.569 . . . . 41.42 106.763 175.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.49 165.06 29.66 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 109.706 -1.358 . . . . 75.41 109.706 173.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -25.33 33.7 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 117.894 0.847 . . . . 72.52 112.164 177.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -110.68 19.49 18.6 Favored 'General case' 0 C--O 1.21 -0.992 0 O-C-N 121.968 -0.457 . . . . 73.02 111.784 -177.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.96 130.78 35.55 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 120.323 -0.551 . . . . 63.41 112.385 -175.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.22 124.53 27.96 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.573 0.701 . . . . 61.02 111.284 -176.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -53.14 -40.57 64.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.494 -0.775 . . . . 70.22 111.722 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -78.98 -22.16 46.01 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 114.438 1.273 . . . . 73.4 114.438 -177.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -75.45 -32.31 60.59 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 107.252 -1.388 . . . . 65.22 107.252 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.6 mp -81.58 15.26 2.18 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 113.844 -1.526 . . . . 75.02 110.56 176.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.17 1.01 79.73 Favored Glycine 0 C--O 1.214 -1.149 0 N-CA-C 117.301 1.68 . . . . 71.12 117.301 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -73.84 101.53 1.22 Allowed Glycine 0 C--N 1.317 -0.484 0 N-CA-C 115.945 1.138 . . . . 52.23 115.945 -176.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.3 p -72.03 163.89 27.09 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.108 0.48 . . . . 64.5 110.691 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.8 t -64.68 -23.95 67.42 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.736 -0.602 . . . . 55.04 111.447 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.38 -38.5 74.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.621 0.724 . . . . 73.32 109.242 177.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.3 tp -71.02 -32.58 69.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.593 -0.73 . . . . 53.51 110.475 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.5 -31.76 62.31 Favored 'General case' 0 C--O 1.206 -1.185 0 N-CA-C 112.708 0.633 . . . . 62.22 112.708 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.6 mmt -64.1 -30.72 71.77 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 121.486 -0.759 . . . . 64.14 111.761 177.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -76.35 -32.83 58.86 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.397 -0.815 . . . . 72.1 109.389 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 43.7 tp -60.88 -47.4 86.57 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 108.933 -0.766 . . . . 75.24 108.933 176.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.9 mt -61.71 -40.35 86.5 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 CA-C-N 115.75 -0.659 . . . . 75.04 110.576 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.49 94.06 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 120.857 -0.337 . . . . 72.14 111.428 177.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -65.85 -33.08 75.02 Favored 'General case' 0 C--O 1.208 -1.116 0 O-C-N 122.924 0.14 . . . . 61.01 111.186 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.9 mt -64.13 -27.46 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.68 0 O-C-N 123.915 0.76 . . . . 72.14 110.036 -177.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -65.12 -31.62 72.91 Favored 'General case' 0 C--O 1.202 -1.397 0 CA-C-O 121.85 0.834 . . . . 75.54 112.273 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -80.7 -34.27 34.71 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.893 -0.781 . . . . 63.4 108.893 -175.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -88.29 -45.39 10.08 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 113.554 -1.657 . . . . 72.22 112.375 -174.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 61.3 mt -102.18 -7.99 21.72 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-N 118.911 0.778 . . . . 64.23 110.758 -174.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.77 20.16 79.62 Favored Glycine 0 N--CA 1.465 0.594 0 CA-C-N 115.547 -0.751 . . . . 72.24 113.868 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.7 p -145.77 149.31 16.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.893 0.346 . . . . 72.33 110.453 -175.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -81.14 121.65 26.38 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.754 -0.832 . . . . 73.22 108.754 174.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -66.06 122.38 80.85 Favored Pre-proline 0 C--O 1.241 0.635 0 N-CA-C 109.764 -0.458 . . . . 72.34 109.764 -177.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -67.47 112.06 2.49 Favored 'Trans proline' 0 C--N 1.345 0.39 0 CA-C-O 121.62 0.592 . . . . 55.31 111.832 176.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.6 tt -58.05 -22.67 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 113.431 0.901 . . . . 73.21 113.431 -175.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -61.9 -42.83 99.55 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.717 -0.614 . . . . 73.41 110.603 174.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -76.8 -25.02 52.84 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 110.144 -0.317 . . . . 73.03 110.144 -177.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.8 tp -65.11 -46.66 80.13 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.002 0.429 . . . . 73.32 110.873 173.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -75.05 -22.41 58.41 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.342 -0.39 . . . . 74.03 110.788 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.9 t -63.32 -34.42 77.65 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 122.847 0.459 . . . . 75.4 109.98 177.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 39.7 m -158.65 101.85 1.65 Allowed Pre-proline 0 C--N 1.329 -0.307 0 N-CA-C 109.233 -0.655 . . . . 64.13 109.233 176.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -76.95 42.68 1.14 Allowed 'Trans proline' 0 C--O 1.213 -0.738 0 C-N-CA 121.464 1.443 . . . . 75.03 113.658 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 46.8 p -126.18 151.44 72.02 Favored Pre-proline 0 CA--C 1.509 -0.618 0 N-CA-C 105.567 -2.012 . . . . 72.31 105.567 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -66.68 -33.74 34.27 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 114.64 -3.107 . . . . 72.22 114.619 -173.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.85 -30.33 58.88 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.918 0.866 . . . . 71.34 110.067 175.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -64.24 -43.63 96.74 Favored Glycine 0 C--O 1.217 -0.916 0 N-CA-C 110.72 -0.952 . . . . 71.23 110.72 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.42 -47.6 92.7 Favored 'Isoleucine or valine' 0 C--O 1.27 2.149 0 N-CA-C 110.046 -0.353 . . . . 71.11 110.046 176.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.84 -50.2 71.22 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.631 1.173 . . . . 75.42 112.89 177.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 22.2 ptt-85 -67.37 -33.88 76.14 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 120.029 -1.669 . . . . 73.45 110.022 -177.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.65 -41.97 71.43 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-O 121.451 0.643 . . . . 13.23 112.328 -177.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 pp -77.88 -23.64 48.73 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.04 -0.527 . . . . 73.15 111.773 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.72 -27.29 39.62 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 113.269 0.841 . . . . 61.34 113.269 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.53 -28.98 69.7 Favored 'General case' 0 CA--C 1.55 0.964 0 O-C-N 122.067 -0.396 . . . . 65.44 111.489 176.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -73.15 -18.02 61.32 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 122.12 -0.362 . . . . 72.21 111.968 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.4 t -78.16 -7.58 57.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.581 -0.281 . . . . 74.31 110.476 -178.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 58.86 19.27 6.85 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.072 0.949 . . . . 63.55 112.444 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.4 p -79.99 24.89 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 123.882 0.873 . . . . 71.41 112.261 -178.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 32.2 m-90 58.28 22.05 8.88 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.269 1.028 . . . . 72.11 112.056 -176.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.5 m -74.75 137.29 41.91 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.206 -0.664 . . . . 63.53 109.206 177.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -73.9 129.34 85.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.344 -0.389 . . . . 72.54 111.027 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -75.45 175.19 11.6 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 117.843 -0.971 . . . . 74.34 110.759 174.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -116.72 166.16 12.45 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.668 -0.864 . . . . 74.12 108.668 174.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -73.15 132.32 43.1 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.506 -0.924 . . . . 71.32 108.506 175.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -140.5 148.48 41.15 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.403 -1.332 . . . . 74.52 107.403 173.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.4 tptt . . . . . 0 C--O 1.245 0.832 0 CA-C-O 116.978 -1.487 . . . . 53.22 109.919 179.057 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.378 0 N-CA-C 111.287 -0.725 . . . . 64.11 111.287 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.56 153.19 29.66 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.836 -0.801 . . . . 72.41 108.836 177.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.2 ptt? -78.05 156.15 30.24 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 123.256 0.623 . . . . 73.22 111.941 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.8 159.69 31.64 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 122.519 0.328 . . . . 62.5 110.9 177.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -83.62 133.37 34.84 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 109.54 -0.541 . . . . 62.14 109.54 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.33 159.01 75.96 Favored Pre-proline 0 CA--C 1.552 1.048 0 C-N-CA 120.364 -0.534 . . . . 74.11 110.208 178.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.3 163.6 38.16 Favored 'Trans proline' 0 C--O 1.256 1.381 0 N-CA-C 110.203 -0.73 . . . . 72.12 110.203 177.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -80.02 157.59 26.73 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 114.639 1.348 . . . . 63.41 114.639 -173.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -92.85 176.99 6.23 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.118 -0.946 . . . . 74.01 110.576 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.77 -32.66 73.86 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 113.173 0.805 . . . . 74.4 113.173 -177.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.6 m -63.72 -39.69 94.92 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.516 0.674 . . . . 64.13 111.258 -176.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -57.72 -38.77 75.86 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 115.592 -0.731 . . . . 73.11 111.204 178.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -65.44 -39.04 91.59 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 111.513 0.19 . . . . 72.4 111.513 -177.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.3 t -68.99 -42.94 82.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.202 -1.036 . . . . 61.15 108.202 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.8 mt -63.03 -40.16 96.89 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 116.021 -0.536 . . . . 45.35 110.591 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 66.7 m -58.84 -45.09 90.87 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 111.851 0.315 . . . . 72.44 111.851 176.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.56 -38.69 87.64 Favored 'General case' 0 C--O 1.24 0.585 0 C-N-CA 120.103 -0.639 . . . . 72.43 111.312 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.416 HD22 ' HB3' ' A' ' 50' ' ' ARG . 46.7 mt -67.07 -32.21 73.24 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-O 121.42 0.629 . . . . 73.04 111.815 179.172 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -61.86 -42.97 99.69 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 108.972 -0.751 . . . . 73.43 108.972 174.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.9 98.5 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 113.296 0.85 . . . . 73.42 113.296 -176.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -70.68 -25.4 62.96 Favored 'General case' 0 C--N 1.314 -0.968 0 O-C-N 121.531 -0.73 . . . . 64.02 112.627 -178.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.0 mm -86.33 -40.64 14.47 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 114.029 1.122 . . . . 74.41 114.029 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.0 mt -88.81 -19.43 25.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.043 -0.526 . . . . 72.21 111.458 -176.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.9 23.87 68.28 Favored Glycine 0 C--O 1.239 0.43 0 N-CA-C 113.659 0.224 . . . . 50.04 113.659 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.3 m -98.19 157.61 3.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-O 121.494 0.664 . . . . 75.33 111.893 -175.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -65.32 -41.03 94.41 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 115.061 -0.972 . . . . 73.14 112.726 -174.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.9 mtm180 -144.61 160.06 41.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.306 -0.861 . . . . 74.32 109.517 -177.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.7 t -134.32 125.57 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 O-C-N 124.569 1.168 . . . . 71.22 107.871 176.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.92 161.4 30.56 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 109.151 -1.579 . . . . 65.24 109.151 176.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.0 m -66.98 -15.55 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 O-C-N 121.284 -1.127 . . . . 73.33 112.043 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.4 18.65 13.59 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.186 0.517 . . . . 63.33 111.45 -178.227 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.85 136.82 40.17 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 120.054 -0.659 . . . . 73.22 110.04 -175.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.78 116.15 22.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.242 -0.436 . . . . 64.45 110.72 -177.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -50.93 -41.31 58.75 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.901 -0.591 . . . . 71.32 112.379 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -74.21 -28.29 61.2 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.236 0.828 . . . . 75.44 113.236 -176.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -75.8 -34.77 60.18 Favored 'General case' 0 C--O 1.211 -0.922 0 N-CA-C 108.582 -0.895 . . . . 63.4 108.582 -176.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.9 mp -75.88 24.23 0.13 Allowed 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 114.788 -1.096 . . . . 71.51 112.487 178.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.23 15.81 60.08 Favored Glycine 0 CA--C 1.524 0.642 0 CA-C-O 121.881 0.711 . . . . 65.14 113.505 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.82 151.27 51.23 Favored Glycine 0 C--O 1.226 -0.393 0 CA-C-O 122.595 1.108 . . . . 74.51 114.6 -178.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 52.0 m -143.33 159.66 41.95 Favored 'General case' 0 C--O 1.217 -0.618 0 N-CA-C 108.29 -1.004 . . . . 72.21 108.29 -178.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.6 t -60.32 -36.03 76.99 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.688 0.756 . . . . 44.51 110.151 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.14 -38.6 91.12 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 121.719 -0.613 . . . . 64.53 111.801 177.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.4 mt -72.81 -30.14 63.82 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 122.329 -0.232 . . . . 71.22 110.696 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.27 -41.71 99.05 Favored 'General case' 0 C--O 1.207 -1.158 0 CA-C-O 121.437 0.637 . . . . 44.24 109.763 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 97.4 mmm -63.89 -36.51 84.17 Favored 'General case' 0 C--O 1.243 0.736 0 O-C-N 121.572 -0.705 . . . . 55.2 110.817 177.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -67.08 -41.64 86.03 Favored 'General case' 0 C--O 1.21 -1.012 0 CA-C-O 120.966 0.412 . . . . 65.11 111.807 176.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.0 tp -59.58 -45.55 91.54 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-O 121.164 0.507 . . . . 73.3 110.217 178.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 59.1 mt -59.69 -36.67 67.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 122.161 -0.337 . . . . 74.24 110.561 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.3 -42.6 99.5 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 120.502 -0.479 . . . . 65.24 111.143 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.416 ' HB3' HD22 ' A' ' 18' ' ' LEU . 25.5 mmt85 -67.67 -31.57 71.65 Favored 'General case' 0 C--O 1.209 -1.038 0 CA-C-O 121.348 0.594 . . . . 74.54 111.934 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.37 -31.61 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 N-CA-C 109.646 -0.502 . . . . 43.3 109.646 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -67.44 -28.85 68.23 Favored 'General case' 0 CA--C 1.513 -0.468 0 O-C-N 121.548 -0.72 . . . . 73.14 112.078 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -79.86 -39.23 31.03 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 109.106 -0.701 . . . . 73.33 109.106 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -85.97 -48.49 8.64 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 115.522 1.675 . . . . 71.01 115.522 -173.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.8 mt -103.24 -6.24 22.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.528 -0.732 . . . . 74.02 110.784 -176.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.93 20.33 77.66 Favored Glycine 0 C--N 1.33 0.205 0 N-CA-C 115.97 1.148 . . . . 54.41 115.97 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.6 m -137.64 154.95 30.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.489 0.661 . . . . 74.43 110.887 -174.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -89.24 107.19 18.91 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.844 -0.798 . . . . 75.0 108.844 174.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -79.98 116.36 60.72 Favored Pre-proline 0 CA--C 1.556 1.187 0 N-CA-C 109.622 -0.51 . . . . 51.14 109.622 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -60.77 135.86 62.72 Favored 'Trans proline' 0 CA--C 1.549 1.265 0 N-CA-C 113.926 0.702 . . . . 74.11 113.926 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.1 tt -62.84 -23.2 32.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 O-C-N 121.808 -0.557 . . . . 72.13 111.157 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -60.63 -32.25 71.4 Favored 'General case' 0 C--O 1.207 -1.163 0 O-C-N 121.413 -0.804 . . . . 75.42 110.202 175.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.51 -38.86 71.09 Favored 'General case' 0 C--O 1.204 -1.337 0 N-CA-C 109.83 -0.433 . . . . 60.43 109.83 -178.033 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.3 mt -67.99 -41.54 82.16 Favored 'General case' 0 C--O 1.21 -1.005 0 CA-C-N 117.792 0.269 . . . . 62.42 110.882 176.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -66.88 -32.28 73.44 Favored 'General case' 0 C--O 1.211 -0.939 0 O-C-N 121.917 -0.489 . . . . 71.52 111.068 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.4 t -79.7 -25.95 41.04 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 121.458 0.647 . . . . 73.34 110.395 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.5 m -146.88 87.31 6.3 Favored Pre-proline 0 C--O 1.222 -0.37 0 CA-C-N 116.015 -0.539 . . . . 44.24 109.751 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -80.12 20.12 0.96 Allowed 'Trans proline' 0 CA--C 1.536 0.616 0 N-CA-C 116.971 1.873 . . . . 65.15 116.971 -175.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.4 p -114.37 153.7 46.5 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 107.446 -1.316 . . . . 42.51 107.446 177.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.31 -31.87 27.54 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 116.71 -1.727 . . . . 71.02 114.172 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.51 -29.32 61.36 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 121.09 -1.007 . . . . 60.12 111.621 175.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.1 -51.52 13.86 Favored Glycine 0 N--CA 1.441 -1.015 0 N-CA-C 109.58 -1.408 . . . . 74.21 109.58 -178.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.6 p -63.89 -32.93 59.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 O-C-N 122.445 -0.444 . . . . 51.32 111.558 -177.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.72 -48.46 77.7 Favored 'General case' 0 C--O 1.224 -0.261 0 N-CA-C 112.439 0.533 . . . . 61.41 112.439 176.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -76.4 -32.75 58.7 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 120.16 -0.616 . . . . 71.34 111.519 -178.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.38 -39.75 89.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.73 0.3 . . . . 71.3 110.684 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.6 pp -76.83 -28.79 55.66 Favored 'General case' 0 C--O 1.215 -0.757 0 O-C-N 121.649 -0.657 . . . . 71.13 110.436 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.68 -31.93 73.25 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.737 -0.602 . . . . 72.55 111.489 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.43 -19.06 65.7 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 115.965 -0.561 . . . . 55.13 112.439 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -58.61 -26.11 63.35 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 120.699 0.285 . . . . 73.12 111.202 178.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.6 m -63.81 -30.6 71.67 Favored 'General case' 0 C--O 1.218 -0.578 0 C-N-CA 122.683 0.393 . . . . 75.3 112.033 -178.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.39 -29.03 62.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.466 0.65 . . . . 73.31 109.945 178.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.5 m -94.01 18.26 10.92 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 113.017 0.747 . . . . 70.22 113.017 -176.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -82.51 -7.55 59.64 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 121.152 0.501 . . . . 74.13 112.157 -178.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.8 t -80.93 161.49 24.31 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 116.098 -0.501 . . . . 62.14 109.838 177.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -63.5 127.69 91.62 Favored Pre-proline 0 CA--C 1.539 0.527 0 N-CA-C 108.511 -0.922 . . . . 73.5 108.511 176.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -72.6 163.32 38.85 Favored 'Trans proline' 0 C--O 1.24 0.592 0 C-N-CA 117.605 -1.13 . . . . 74.31 111.29 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -62.27 143.32 57.02 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 109.104 -0.702 . . . . 70.24 109.104 177.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -64.49 155.89 31.37 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.978 -1.119 . . . . 74.42 107.978 173.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -112.21 177.82 4.51 Favored 'General case' 0 C--O 1.25 1.092 0 N-CA-C 109.471 -0.566 . . . . 74.23 109.471 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt . . . . . 0 C--O 1.255 1.347 0 N-CA-C 108.443 -0.947 . . . . 61.12 108.443 179.55 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.427 0 CA-C-O 118.782 -1.01 . . . . 61.14 111.295 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.51 170.07 21.06 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 105.786 -1.931 . . . . 61.43 105.786 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 62.2 ttp -68.36 138.21 55.21 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.342 -0.984 . . . . 74.02 108.342 177.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.19 141.57 50.67 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.138 -1.06 . . . . 64.14 108.138 175.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -66.92 164.99 16.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.956 0.408 . . . . 73.33 110.344 178.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.87 152.35 87.19 Favored Pre-proline 0 CA--C 1.541 0.623 0 N-CA-C 107.682 -1.229 . . . . 72.33 107.682 174.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.18 137.54 34.47 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 115.312 -2.659 . . . . 62.42 110.415 177.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -59.97 117.23 4.83 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.155 -0.683 . . . . 72.45 109.155 -177.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.7 m -133.09 146.12 51.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.166 0.508 . . . . 73.01 112.042 -177.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.14 -26.69 68.3 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.918 -0.771 . . . . 53.42 108.918 174.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.5 m -56.34 -40.12 73.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.185 -0.916 . . . . 71.23 111.511 177.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -61.15 -40.54 94.24 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.065 0.394 . . . . 72.23 112.065 -177.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.96 -31.57 72.23 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.335 -0.853 . . . . 74.42 110.105 -177.018 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.0 t -68.57 -51.85 42.16 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.606 0 N-CA-C 109.528 -0.545 . . . . 73.41 109.528 -178.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -70.79 -30.7 67.24 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.955 0.724 . . . . 73.05 112.955 -177.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.7 m -63.2 -46.18 88.23 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 122.174 -0.329 . . . . 54.34 110.873 173.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.91 -35.11 79.73 Favored 'General case' 0 C--O 1.207 -1.158 0 N-CA-C 109.125 -0.694 . . . . 73.34 109.125 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mp -65.33 -33.67 76.52 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.205 -0.452 . . . . 70.11 111.279 178.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -58.02 -48.18 80.84 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 106.752 -1.573 . . . . 71.34 106.752 174.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.02 85.58 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 112.998 0.74 . . . . 25.55 112.998 -174.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -70.82 -34.2 71.47 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 121.463 0.649 . . . . 73.52 110.733 -177.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.8 mm -83.21 -37.4 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 CA-C-N 114.992 -1.004 . . . . 71.32 113.425 -175.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.8 mt -91.01 -23.15 20.47 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 123.76 0.824 . . . . 62.52 112.47 -177.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.24 33.01 37.03 Favored Glycine 0 C--O 1.229 -0.191 0 C-N-CA 120.654 -0.784 . . . . 74.4 112.586 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.8 m -110.04 152.96 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-O 121.38 0.61 . . . . 74.42 111.162 -177.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -68.32 -38.25 81.36 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.846 1.795 . . . . 73.24 115.846 -173.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -144.61 160.83 40.53 Favored 'General case' 0 C--O 1.201 -1.476 0 N-CA-C 107.014 -1.476 . . . . 75.31 107.014 -178.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.1 t -137.24 127.42 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.657 0 O-C-N 124.173 0.921 . . . . 75.21 109.616 177.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.46 166.64 31.94 Favored Glycine 0 C--N 1.346 1.091 0 N-CA-C 110.469 -1.052 . . . . 74.34 110.469 175.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.411 HG22 ' H ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -66.36 -26.36 37.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 118.066 0.933 . . . . 73.05 112.567 178.651 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -106.39 16.62 24.5 Favored 'General case' 0 C--O 1.209 -1.074 0 CA-C-O 121.458 0.647 . . . . 73.43 112.179 -177.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.58 121.55 20.83 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.611 -0.681 . . . . 72.13 112.401 -176.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.76 125.31 28.49 Favored 'General case' 0 C--O 1.214 -0.774 0 CA-C-O 122.182 0.992 . . . . 41.32 109.414 -177.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -55.35 -38.51 68.88 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.767 -0.651 . . . . 71.21 111.431 -178.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -78.47 -22.47 47.51 Favored 'General case' 0 C--O 1.224 -0.27 0 N-CA-C 113.338 0.866 . . . . 72.34 113.338 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -78.35 -29.73 47.69 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.1 -1.074 . . . . 53.3 108.1 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 65.6 mt -76.59 14.29 0.82 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.893 -1.049 . . . . 74.1 111.238 173.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.19 2.22 74.45 Favored Glycine 0 C--O 1.215 -1.07 0 N-CA-C 116.109 1.204 . . . . 74.33 116.109 177.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.09 154.3 52.58 Favored Glycine 0 C--N 1.316 -0.561 0 CA-C-O 122.8 1.222 . . . . 55.11 114.05 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.7 m -137.62 163.67 30.67 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.834 -1.173 . . . . 75.44 107.834 -177.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 m -57.01 -36.16 70.09 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.06 0.763 . . . . 64.1 113.06 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.51 -35.4 77.43 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.368 0.604 . . . . 64.21 110.806 177.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.3 tp -72.14 -34.35 68.47 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.676 -0.49 . . . . 74.35 109.676 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.41 -30.8 65.25 Favored 'General case' 0 C--O 1.199 -1.594 0 CA-C-O 121.138 0.494 . . . . 73.14 112.122 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 91.4 mtp -64.26 -31.43 72.63 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 121.887 -0.508 . . . . 71.44 111.147 176.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -75.06 -33.73 61.74 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 121.244 -0.91 . . . . 72.1 109.185 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 53.8 tp -63.15 -45.79 90.25 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 108.592 -0.892 . . . . 73.44 108.592 176.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.35 -43.76 97.23 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 N-CA-C 109.347 -0.612 . . . . 73.12 109.347 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.38 -43.47 88.47 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 121.075 -0.25 . . . . 73.01 110.831 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.55 -34.08 77.1 Favored 'General case' 0 C--O 1.204 -1.297 0 N-CA-C 112.298 0.481 . . . . 75.54 112.298 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.2 mt -66.32 -30.38 49.66 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.246 0 N-CA-C 106.921 -1.511 . . . . 52.21 106.921 -177.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.41 ' HE ' ' CG ' ' A' ' 58' ' ' ASP . 4.5 mtp-105 -65.68 -31.38 72.36 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.237 -0.915 . . . . 64.24 111.214 178.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -78.66 -36.5 43.72 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.5 -1.296 . . . . 55.21 107.5 -174.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -87.56 -41.92 13.11 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 114.358 1.244 . . . . 71.03 114.358 -175.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 67.5 mt -112.62 -5.67 13.97 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 123.217 0.607 . . . . 75.1 110.984 -171.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.69 18.74 77.53 Favored Glycine 0 N--CA 1.466 0.682 0 N-CA-C 115.619 1.008 . . . . 70.22 115.619 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.9 m -135.25 146.71 29.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-N 118.22 1.01 . . . . 63.42 112.26 -177.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.41 ' CG ' ' HE ' ' A' ' 52' ' ' ARG . 2.2 m-20 -79.21 108.43 12.7 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 106.944 -1.502 . . . . 72.12 106.944 172.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -62.42 122.16 71.58 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 109.102 -0.703 . . . . 62.42 109.102 -178.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.02 118.43 5.31 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 120.174 0.582 . . . . 42.44 111.77 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.7 tt -59.56 -25.82 32.67 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 O-C-N 121.803 -0.561 . . . . 71.24 111.731 -177.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 46.8 ttm-85 -63.84 -36.81 85.13 Favored 'General case' 0 C--O 1.214 -0.782 0 O-C-N 121.417 -0.802 . . . . 74.52 111.521 175.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -70.33 -37.22 74.64 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.017 -0.364 . . . . 65.23 110.017 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 mt -62.75 -47.41 83.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.266 -0.425 . . . . 74.51 111.029 176.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -73.47 -25.03 60.29 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.609 0.596 . . . . 74.14 112.609 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.2 t -69.53 -32.86 71.94 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.238 0.542 . . . . 63.21 110.547 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.7 m -149.84 87.92 4.98 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.72 -0.474 . . . . 72.31 109.72 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -75.51 40.22 0.68 Allowed 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 122.126 1.884 . . . . 73.05 116.8 -174.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.7 p -127.11 153.21 76.65 Favored Pre-proline 0 CA--C 1.507 -0.704 0 N-CA-C 105.623 -1.991 . . . . 62.24 105.623 175.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.59 -39.45 44.23 Favored 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 115.778 -2.348 . . . . 74.41 115.001 -175.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.98 -31.81 68.47 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 122.324 1.059 . . . . 71.53 110.133 177.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.63 -46.5 92.02 Favored Glycine 0 C--O 1.216 -0.989 0 N-CA-C 109.683 -1.367 . . . . 65.31 109.683 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.0 t -63.93 -44.26 97.92 Favored 'Isoleucine or valine' 0 C--O 1.29 3.235 0 CA-C-N 118.186 0.993 . . . . 74.43 110.196 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.14 -49.6 75.42 Favored 'General case' 0 C--O 1.215 -0.725 0 O-C-N 120.318 -1.489 . . . . 75.52 111.499 178.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 38.3 ptt85 -71.92 -29.97 64.86 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.303 -0.873 . . . . 73.03 110.749 -178.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.38 -44.05 76.0 Favored 'General case' 0 CA--C 1.507 -0.685 0 C-N-CA 120.519 -0.472 . . . . 31.13 111.946 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.6 pp -72.83 -30.91 64.4 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.714 -0.476 . . . . 74.31 109.714 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.7 -42.07 98.03 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 121.396 0.617 . . . . 63.52 110.102 175.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.72 -36.88 85.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.007 0.432 . . . . 74.21 110.38 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -63.86 -39.8 95.07 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 110.046 -0.353 . . . . 74.31 110.046 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.0 t -71.37 -33.42 69.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 118.201 0.455 . . . . 65.13 111.676 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.89 -39.61 83.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.358 0.599 . . . . 75.14 110.747 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.4 p -80.36 -12.61 59.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.972 -0.558 . . . . 73.31 112.252 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 42.5 m95 -131.74 67.93 1.51 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.629 -0.878 . . . . 71.4 108.629 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.95 -31.84 72.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.967 -1.015 . . . . 43.5 110.5 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -93.32 132.16 31.1 Favored Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 105.961 -1.866 . . . . 72.13 105.961 170.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.81 148.93 59.34 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 116.435 -1.91 . . . . 54.11 113.778 -176.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -82.21 158.49 23.54 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.506 -0.924 . . . . 74.1 108.506 175.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -109.57 155.67 21.12 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 104.875 -2.269 . . . . 71.13 104.875 165.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -151.96 167.8 27.22 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 104.366 -2.457 . . . . 74.22 104.366 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? . . . . . 0 C--O 1.241 0.635 0 N-CA-C 108.718 -0.845 . . . . 73.55 108.718 -179.566 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 CA-C-O 118.858 -0.968 . . . . 50.51 111.158 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.28 147.28 51.5 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 107.45 -1.315 . . . . 60.12 107.45 176.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.7 ptp -72.18 146.36 47.43 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.115 0.483 . . . . 62.33 110.17 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.18 153.99 31.52 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.998 -1.112 . . . . 60.14 107.998 178.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -85.97 140.91 29.91 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 107.901 -1.148 . . . . 73.44 107.901 176.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.52 151.18 96.76 Favored Pre-proline 0 CA--C 1.543 0.708 0 N-CA-C 108.789 -0.819 . . . . 45.0 108.789 177.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -70.82 162.71 41.65 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 118.216 -0.723 . . . . 54.25 113.519 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -69.04 129.29 39.51 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.122 -0.49 . . . . 74.13 109.873 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.9 m -89.23 153.32 21.01 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.54 -0.541 . . . . 72.12 109.54 178.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.07 -25.91 64.17 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 113.563 0.949 . . . . 64.11 113.563 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -33.28 74.49 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.92 -0.487 . . . . 75.31 112.151 178.123 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -63.04 -42.36 99.72 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-O 120.707 0.289 . . . . 72.4 111.406 -170.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -69.16 -26.33 64.81 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 113.214 0.82 . . . . 65.51 113.214 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.6 t -71.12 -45.68 70.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 106.385 -1.709 . . . . 74.24 106.385 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.7 mt -66.39 -37.3 84.94 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.54 -0.755 . . . . 75.53 111.623 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.9 m -56.65 -44.13 81.03 Favored 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 120.864 -0.334 . . . . 75.5 110.131 174.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.06 -38.01 81.94 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 121.252 -0.905 . . . . 63.42 111.822 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.5 mt -64.1 -33.56 76.04 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 122.109 -0.369 . . . . 71.44 111.316 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -64.73 -47.48 78.12 Favored 'General case' 0 C--O 1.21 -1.013 0 N-CA-C 106.548 -1.649 . . . . 65.33 106.548 177.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.81 -44.08 86.11 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 111.849 0.315 . . . . 35.42 111.849 -177.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -58.21 -44.04 87.96 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 122.019 0.914 . . . . 75.44 112.046 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -84.06 -40.29 15.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 114.938 -1.028 . . . . 73.53 111.432 -171.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.9 mt -81.47 -22.37 38.13 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 122.566 0.347 . . . . 62.04 111.293 -175.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.59 25.4 70.16 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.445 -0.884 . . . . 63.13 112.528 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.7 m -100.02 151.72 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.666 0.746 . . . . 63.42 109.581 -178.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -67.28 -39.89 86.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.992 -0.549 . . . . 74.11 112.435 -174.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.8 mmt-85 -141.12 166.95 23.38 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-O 121.133 0.492 . . . . 74.3 111.08 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.7 t -145.3 127.41 9.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-N 114.253 -1.34 . . . . 72.11 108.35 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.5 170.06 45.99 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 109.484 -1.446 . . . . 43.42 109.484 175.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -74.88 -24.11 17.9 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.432 0 CA-C-O 122.992 1.377 . . . . 75.45 111.509 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -107.2 16.53 23.97 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 113.51 -1.677 . . . . 75.12 110.835 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.24 129.77 35.47 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.192 0.441 . . . . 73.42 112.192 -172.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.41 121.82 25.63 Favored 'General case' 0 C--O 1.212 -0.884 0 CA-C-O 121.811 0.815 . . . . 44.52 110.594 -177.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -51.76 -39.89 59.33 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.185 -0.916 . . . . 72.11 111.977 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -81.9 -20.26 39.14 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.269 0.84 . . . . 72.43 113.269 -177.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -77.18 -31.76 55.65 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 106.971 -1.492 . . . . 74.15 106.971 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.0 mt -76.96 16.64 0.52 Allowed 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 114.321 -1.309 . . . . 74.53 112.565 174.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.77 4.82 69.32 Favored Glycine 0 C--O 1.237 0.326 0 N-CA-C 115.487 0.955 . . . . 74.31 115.487 177.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.87 158.63 53.41 Favored Glycine 0 C--O 1.217 -0.93 0 CA-C-O 122.252 0.918 . . . . 71.12 114.177 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.3 t -144.85 167.19 23.2 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 114.881 -0.659 . . . . 74.41 109.284 -178.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.0 m -58.39 -30.68 67.01 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.138 0.494 . . . . 62.1 111.46 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.49 -39.81 92.35 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.028 -0.533 . . . . 51.42 110.312 177.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.3 mt -78.29 -25.65 46.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.599 -0.273 . . . . 74.2 111.244 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.61 -32.06 70.06 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 122.135 -0.353 . . . . 73.43 110.357 175.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.8 mmt -66.13 -32.03 73.24 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 120.891 0.377 . . . . 74.45 111.19 177.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -72.47 -37.23 68.54 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.49 -0.93 . . . . 74.44 108.49 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.0 tp -67.27 -44.45 79.32 Favored 'General case' 0 C--N 1.318 -0.79 0 O-C-N 124.536 1.147 . . . . 74.32 108.107 -178.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.7 mt -59.76 -38.29 75.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 109.27 -0.641 . . . . 75.45 109.27 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.99 -45.54 81.25 Favored 'General case' 0 C--O 1.199 -1.555 0 O-C-N 122.017 -0.427 . . . . 74.44 111.513 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -67.88 -33.5 74.85 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-O 120.915 0.388 . . . . 72.22 111.716 -177.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.4 mt -55.16 -36.59 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-O 121.278 0.561 . . . . 71.13 110.021 177.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -64.58 -30.37 71.4 Favored 'General case' 0 C--O 1.209 -1.032 0 O-C-N 121.809 -0.557 . . . . 64.43 112.144 -177.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -82.06 -38.58 24.7 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 107.575 -1.268 . . . . 73.31 107.575 -175.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -86.1 -36.82 19.38 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 114.514 1.302 . . . . 61.03 114.514 -173.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.1 mt -113.92 -6.73 13.19 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.861 -0.524 . . . . 72.5 109.904 -173.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.16 21.23 77.03 Favored Glycine 0 C--N 1.334 0.431 0 N-CA-C 116.15 1.22 . . . . 31.32 116.15 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.1 m -140.33 163.5 23.3 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.615 0 CA-C-N 117.713 0.756 . . . . 74.11 111.749 -175.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -86.65 141.89 28.63 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 107.713 -1.218 . . . . 72.35 107.713 172.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.0 tp -104.99 120.39 50.1 Favored Pre-proline 0 C--N 1.321 -0.642 0 O-C-N 121.998 -0.439 . . . . 75.24 110.246 174.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.88 136.33 72.89 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 N-CA-C 110.499 -0.616 . . . . 61.42 110.499 170.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.3 tt -65.72 -21.99 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 O-C-N 121.222 -0.924 . . . . 43.12 110.733 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.6 ttt85 -62.5 -32.16 73.02 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 121.749 -0.594 . . . . 74.15 110.543 176.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -45.13 94.88 Favored 'General case' 0 C--O 1.219 -0.548 0 O-C-N 123.266 0.354 . . . . 65.23 110.218 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.7 mt -67.15 -41.42 86.07 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 112.01 0.374 . . . . 73.4 112.01 178.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -69.76 -28.11 65.49 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.962 -0.695 . . . . 63.05 112.295 -178.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.3 m -82.92 -19.89 36.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.125 0.488 . . . . 61.44 110.762 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.6 m -151.36 85.25 5.0 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 109.717 -0.475 . . . . 73.12 109.717 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -78.66 18.26 1.0 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 N-CA-C 115.599 1.346 . . . . 73.01 115.599 -174.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.3 p -113.77 154.63 45.77 Favored Pre-proline 0 C--O 1.242 0.664 0 N-CA-C 108.694 -0.854 . . . . 75.25 108.694 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -68.89 -32.29 22.74 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 115.966 -2.223 . . . . 53.13 113.264 -175.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.11 -35.52 64.15 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 121.443 -0.785 . . . . 73.23 110.647 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -64.79 -50.73 56.96 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.496 -0.859 . . . . 50.32 110.956 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.3 p -65.44 -32.72 59.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 122.831 -0.217 . . . . 71.44 110.666 -177.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.11 -46.73 87.75 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 122.276 1.036 . . . . 62.25 111.571 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -75.05 -32.03 61.45 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 115.195 -0.911 . . . . 72.01 109.74 -177.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.25 -41.45 73.51 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.578 0.585 . . . . 53.4 112.578 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.0 pp -75.23 -28.52 59.94 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 122.329 -0.232 . . . . 60.14 111.109 -177.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.92 -33.44 68.79 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.059 0.457 . . . . 74.04 110.704 177.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.53 -20.84 64.58 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.301 0.852 . . . . 65.33 113.301 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt -64.17 -20.08 65.75 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 118.306 0.503 . . . . 73.45 110.984 -178.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.3 m -66.93 -30.85 71.1 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.809 -0.357 . . . . 73.51 111.912 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.24 -37.74 63.71 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 107.813 -1.18 . . . . 73.51 107.813 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.5 m -78.16 3.41 15.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.866 -1.061 . . . . 71.33 113.686 -178.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 9.3 t90 -79.26 -23.49 43.62 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.796 0.808 . . . . 73.21 109.351 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 96.2 p -73.66 155.33 39.13 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.097 -0.705 . . . . 72.21 109.097 177.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -62.94 143.75 97.26 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.591 -0.277 . . . . 73.02 110.608 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -71.23 170.76 17.47 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 O-C-N 121.74 0.337 . . . . 73.32 111.882 175.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -63.58 -34.2 77.28 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 112.642 0.608 . . . . 71.4 112.642 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -105.19 111.15 23.8 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.15 -1.426 . . . . 72.41 107.15 175.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -135.33 159.95 39.95 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 104.854 -2.276 . . . . 63.52 104.854 -178.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.102 0 N-CA-C 108.986 -0.746 . . . . 74.01 108.986 -178.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 CA-C-O 118.538 -1.145 . . . . 41.43 111.021 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.02 159.01 24.07 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 106.756 -1.572 . . . . 73.31 106.756 175.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.7 mtt -68.0 135.69 52.72 Favored 'General case' 0 C--O 1.247 0.967 0 N-CA-C 108.844 -0.799 . . . . 71.53 108.844 178.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.34 133.36 42.54 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 107.587 -1.264 . . . . 52.1 107.587 173.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -87.38 146.6 25.81 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 107.71 -1.219 . . . . 64.12 107.71 177.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.09 158.82 79.96 Favored Pre-proline 0 CA--C 1.541 0.615 0 N-CA-C 107.386 -1.339 . . . . 74.01 107.386 176.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.18 140.67 65.93 Favored 'Trans proline' 0 C--O 1.247 0.972 0 C-N-CA 115.261 -2.692 . . . . 73.21 111.087 177.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -66.54 130.33 42.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 122.002 0.906 . . . . 54.0 110.651 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.9 t -93.46 147.36 23.03 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.442 -0.948 . . . . 73.2 108.442 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.03 -36.04 69.99 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.718 0.77 . . . . 74.34 109.739 178.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.25 -41.86 97.64 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.673 0.62 . . . . 63.23 112.673 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -63.36 -36.79 84.88 Favored 'General case' 0 CA--C 1.515 -0.368 0 O-C-N 121.832 -0.543 . . . . 73.13 110.154 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -66.54 -39.9 88.82 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.025 -0.534 . . . . 74.11 111.077 -178.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.5 t -65.59 -52.77 46.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 N-CA-C 107.107 -1.442 . . . . 63.14 107.107 178.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.4 mt -58.28 -41.9 85.38 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.626 0.602 . . . . 73.54 112.626 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.66 -44.24 90.11 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 112.327 0.492 . . . . 72.55 112.327 175.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.2 -40.77 77.84 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.509 -0.476 . . . . 65.55 111.346 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.5 mt -67.15 -31.04 71.19 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 120.353 -0.539 . . . . 55.52 111.396 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -57.67 -45.68 85.26 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 108.08 -1.081 . . . . 73.42 108.08 173.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.54 93.33 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 112.557 0.577 . . . . 43.33 112.557 -177.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -65.07 -36.72 85.24 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 121.775 0.798 . . . . 63.24 112.445 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.6 mm -86.43 -37.86 11.94 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 N-CA-C 113.23 0.826 . . . . 74.5 113.23 -173.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.9 mt -87.89 -21.54 24.91 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.206 -0.452 . . . . 54.44 111.781 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.93 30.56 59.18 Favored Glycine 0 C--O 1.237 0.301 0 C-N-CA 121.117 -0.563 . . . . 71.21 112.269 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -104.35 151.27 6.96 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 CA-C-O 121.839 0.828 . . . . 45.12 110.783 -178.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -63.01 -30.55 71.69 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 115.849 1.796 . . . . 70.3 115.849 -173.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -154.67 162.47 41.11 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 107.914 -1.143 . . . . 74.53 107.914 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.4 t -136.94 134.43 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 N-CA-C 107.874 -1.158 . . . . 64.23 107.874 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.01 164.07 33.66 Favored Glycine 0 N--CA 1.465 0.602 0 N-CA-C 108.591 -1.803 . . . . 74.11 108.591 173.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.5 m -69.69 -21.44 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 O-C-N 120.541 -1.564 . . . . 72.42 110.823 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -109.6 17.28 21.5 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-O 121.196 0.522 . . . . 72.25 110.049 -176.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.96 125.14 30.42 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.966 -0.753 . . . . 65.14 108.966 -173.257 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.05 130.87 35.98 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.107 0.956 . . . . 60.32 111.359 -174.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -54.42 -40.39 68.25 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.103 -0.953 . . . . 74.32 111.728 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -79.34 -20.28 48.23 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.145 0.794 . . . . 72.32 113.145 -178.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -76.09 -35.33 59.41 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 107.053 -1.462 . . . . 74.4 107.053 -179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.1 mt -78.94 15.55 1.08 Allowed 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 113.987 -1.46 . . . . 72.41 112.116 176.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.32 12.56 59.73 Favored Glycine 0 CA--C 1.519 0.332 0 N-CA-C 115.682 1.033 . . . . 72.32 115.682 176.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.63 165.44 54.36 Favored Glycine 0 C--N 1.319 -0.379 0 CA-C-O 122.332 0.962 . . . . 72.3 114.698 -178.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 85.3 p -150.15 165.89 31.49 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.657 -0.868 . . . . 50.31 108.657 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 m -58.4 -34.71 71.03 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-O 121.606 0.717 . . . . 73.23 111.028 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.17 -44.1 76.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.663 0.744 . . . . 53.51 111.353 178.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.3 tp -66.24 -36.72 83.74 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.682 -0.69 . . . . 70.13 109.581 -179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.3 -29.24 63.74 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-N 115.554 -0.748 . . . . 61.24 112.498 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 91.8 mtp -59.43 -35.28 73.72 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 121.917 -0.489 . . . . 75.44 110.801 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.87 -34.55 62.27 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-O 121.223 0.535 . . . . 73.45 110.092 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.3 tp -64.04 -45.54 88.41 Favored 'General case' 0 C--O 1.212 -0.876 0 N-CA-C 107.647 -1.242 . . . . 74.11 107.647 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.17 -41.11 88.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.567 -0.531 . . . . 75.12 109.567 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.0 -42.55 99.88 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.574 -0.285 . . . . 43.14 110.454 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -63.34 -37.96 89.3 Favored 'General case' 0 C--O 1.185 -2.306 0 CA-C-O 121.997 0.903 . . . . 74.12 110.682 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.4 mt -61.44 -30.84 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.387 -3.58 0 CA-C-O 122.878 1.323 . . . . 71.32 110.393 -176.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -65.5 -29.24 69.86 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 115.244 -0.889 . . . . 60.31 113.149 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -77.59 -37.99 49.21 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 108.582 -0.896 . . . . 75.33 108.582 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -91.52 -41.36 10.85 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 115.056 1.502 . . . . 74.32 115.056 -171.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.7 mt -103.22 -2.78 26.69 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 121.116 -0.99 . . . . 73.44 109.484 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.53 16.95 70.24 Favored Glycine 0 C--N 1.335 0.493 0 N-CA-C 116.715 1.446 . . . . 55.44 116.715 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.4 m -139.69 156.51 26.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.249 0.547 . . . . 74.33 110.971 -174.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -86.37 110.44 19.69 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.453 -0.573 . . . . 62.03 109.453 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -65.76 120.08 65.89 Favored Pre-proline 0 CA--C 1.543 0.71 0 CA-C-O 121.192 0.52 . . . . 71.4 111.454 -175.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -62.78 116.42 3.53 Favored 'Trans proline' 0 C--N 1.346 0.427 0 N-CA-C 112.751 0.25 . . . . 71.55 112.751 177.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.0 tt -56.46 -25.96 21.81 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 N-CA-C 112.741 0.645 . . . . 71.34 112.741 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -60.85 -42.47 97.87 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.041 0.756 . . . . 74.43 113.041 172.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.88 -39.13 79.95 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.654 -0.869 . . . . 72.45 108.654 -178.104 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -44.92 93.06 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-N 116.287 -0.415 . . . . 61.43 111.174 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -75.27 -25.13 57.77 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 121.016 -1.053 . . . . 72.33 112.878 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 59.6 m -75.38 -26.09 58.21 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.815 0.817 . . . . 72.14 110.657 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.7 m -147.03 79.94 9.71 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 115.327 -0.851 . . . . 74.11 109.957 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -77.65 40.83 0.89 Allowed 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.397 2.065 . . . . 63.14 116.945 -173.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.6 p -124.95 157.41 66.74 Favored Pre-proline 0 N--CA 1.476 0.829 0 N-CA-C 104.562 -2.384 . . . . 70.22 104.562 175.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -67.7 -34.0 26.13 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 114.71 -3.06 . . . . 72.44 113.5 -176.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.99 -35.58 69.53 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 120.779 -1.201 . . . . 71.31 110.245 174.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.42 -46.49 94.25 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 109.852 -1.299 . . . . 73.03 109.852 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 66.4 t -60.72 -40.45 84.92 Favored 'Isoleucine or valine' 0 C--O 1.273 2.293 0 CA-C-N 117.787 0.793 . . . . 74.32 109.535 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.39 98.78 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 114.014 1.116 . . . . 75.34 114.014 178.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -74.24 -35.49 63.84 Favored 'General case' 0 C--N 1.281 -2.386 0 N-CA-C 114.988 1.477 . . . . 60.22 114.988 178.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.03 -45.59 91.57 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 109.927 -0.398 . . . . 72.4 109.927 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 pp -75.31 -28.27 59.63 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 120.994 -0.283 . . . . 71.12 110.561 -178.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.02 -23.14 67.31 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 112.711 0.634 . . . . 33.05 112.711 178.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.99 -34.01 72.75 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 121.06 0.457 . . . . 43.3 110.713 175.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -79.26 -35.71 41.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.959 -0.463 . . . . 74.05 109.887 177.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.1 m -65.4 -25.91 67.76 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 122.449 0.299 . . . . 74.15 111.47 -178.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.41 -13.88 34.4 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 112.334 0.494 . . . . 71.03 112.334 177.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.7 m -72.31 -10.32 59.63 Favored 'General case' 0 C--O 1.22 -0.498 0 N-CA-C 112.651 0.612 . . . . 73.05 112.651 177.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 50.97 80.57 0.08 Allowed 'General case' 0 CA--C 1.546 0.825 0 CA-C-O 122.605 1.193 . . . . 72.41 113.89 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.0 t -76.98 177.51 7.7 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.532 -0.758 . . . . 72.31 110.022 176.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -65.49 149.38 97.27 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 108.853 -0.795 . . . . 72.13 108.853 177.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -77.9 156.99 31.03 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 116.815 -1.656 . . . . 73.13 112.069 179.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -148.72 140.05 23.3 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 104.983 -2.228 . . . . 73.03 104.983 176.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -92.48 143.31 26.48 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.955 0.407 . . . . 72.42 111.336 -179.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.478 ' H ' ' CD ' ' A' ' 90' ' ' GLU . 2.3 pm0 -75.8 172.12 13.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.684 -0.689 . . . . 75.22 110.3 174.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.961 0 N-CA-C 104.626 -2.361 . . . . 55.12 104.626 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 CA-C-O 118.916 -0.935 . . . . 61.53 111.35 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.63 144.87 55.33 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.583 -1.265 . . . . 72.2 107.583 176.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.8 tpt -72.01 136.81 46.85 Favored 'General case' 0 C--O 1.245 0.818 0 CA-C-O 120.917 0.389 . . . . 74.11 110.189 -179.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.1 145.78 46.23 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 108.505 -0.924 . . . . 50.22 108.505 176.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -83.44 137.35 33.95 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 108.18 -1.044 . . . . 73.45 108.18 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.04 154.93 77.65 Favored Pre-proline 0 C--O 1.244 0.798 0 N-CA-C 105.402 -2.073 . . . . 62.04 105.402 175.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -73.56 159.27 46.4 Favored 'Trans proline' 0 C--O 1.242 0.723 0 C-N-CA 116.783 -1.678 . . . . 61.01 111.7 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -71.71 135.76 46.94 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.3 0.572 . . . . 65.03 110.005 177.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.5 t -83.49 153.69 24.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.262 0.553 . . . . 63.12 111.117 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.75 -31.0 69.24 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 121.776 0.798 . . . . 64.45 110.126 175.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 m -63.44 -37.54 87.69 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 121.609 -0.682 . . . . 50.21 111.693 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -64.19 -35.56 81.2 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.898 -0.502 . . . . 74.03 111.318 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -61.49 -44.27 97.39 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.536 0.684 . . . . 72.52 110.881 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.1 t -65.4 -50.13 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.845 0 N-CA-C 107.095 -1.446 . . . . 65.33 107.095 -176.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.6 mt -61.22 -40.1 92.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.189 -0.46 . . . . 53.34 111.204 -177.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.1 m -59.46 -43.18 93.25 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.731 -0.605 . . . . 74.13 112.275 175.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.25 -37.56 74.97 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.396 0.517 . . . . 65.51 112.396 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.0 mt -63.41 -34.83 78.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.052 0.453 . . . . 72.35 111.305 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -61.11 -46.8 89.14 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 109.446 -0.576 . . . . 70.41 109.446 176.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.7 91.84 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 113.461 0.911 . . . . 60.45 113.461 -175.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -60.33 -47.97 83.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.867 0.842 . . . . 75.25 110.822 -177.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.7 mt -83.2 -38.15 14.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.211 -0.904 . . . . 65.24 112.793 -169.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.2 mt -81.09 -20.05 42.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.562 -0.29 . . . . 75.44 110.874 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.61 29.49 72.84 Favored Glycine 0 N--CA 1.461 0.302 0 C-N-CA 121.245 -0.502 . . . . 60.21 112.935 178.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.5 m -97.95 155.27 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-O 121.507 0.67 . . . . 73.32 110.726 -177.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -62.95 -37.46 87.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.936 -1.029 . . . . 44.55 112.33 -174.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -153.4 161.67 42.06 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.963 -0.754 . . . . 61.42 108.963 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.9 t -130.96 127.9 61.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 N-CA-C 107.892 -1.151 . . . . 53.45 107.892 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.23 163.12 35.69 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 108.727 -1.749 . . . . 54.4 108.727 173.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.38 -25.55 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 O-C-N 120.633 -1.51 . . . . 74.13 110.787 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -104.6 14.62 29.55 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.493 -0.776 . . . . 63.25 111.451 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.45 126.0 30.65 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 109.416 -0.586 . . . . 75.21 109.416 -174.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.94 135.3 36.91 Favored 'General case' 0 C--O 1.213 -0.816 0 O-C-N 121.306 -0.871 . . . . 70.25 111.026 -176.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -54.13 -35.44 62.19 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.26 -0.882 . . . . 73.04 111.726 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -85.09 -18.38 34.45 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.851 0.686 . . . . 51.21 112.851 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -78.31 -34.59 48.57 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 106.224 -1.769 . . . . 73.14 106.224 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.1 mt -77.42 12.83 1.39 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 113.731 -1.577 . . . . 63.32 111.461 174.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.85 5.98 67.83 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 117.908 1.923 . . . . 63.24 117.908 174.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.09 109.85 3.49 Favored Glycine 0 N--CA 1.463 0.499 0 N-CA-C 118.354 2.102 . . . . 74.43 118.354 -175.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.8 m -78.16 161.93 26.99 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 122.082 -0.658 . . . . 70.3 111.515 175.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -57.24 -25.86 59.82 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 114.759 1.392 . . . . 61.24 114.759 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.57 -32.9 70.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.433 -0.792 . . . . 73.44 110.75 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.8 tp -73.71 -30.0 62.59 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.77 -0.65 . . . . 52.44 109.847 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.42 -31.19 61.67 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.012 0.745 . . . . 73.45 113.012 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 19.3 mmt -62.08 -29.19 70.14 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-O 121.649 0.738 . . . . 73.33 111.756 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -76.99 -32.44 57.21 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.027 -1.101 . . . . 74.22 108.027 -177.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 66.5 tp -69.38 -43.47 73.48 Favored 'General case' 0 C--O 1.213 -0.855 0 N-CA-C 108.752 -0.832 . . . . 65.04 108.752 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.6 mt -61.56 -39.3 82.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.358 -0.608 . . . . 75.2 109.358 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.52 -42.22 95.91 Favored 'General case' 0 C--N 1.313 -0.993 0 O-C-N 122.322 -0.236 . . . . 63.41 111.275 176.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -36.89 82.41 Favored 'General case' 0 C--O 1.191 -2.002 0 CA-C-O 121.842 0.829 . . . . 72.05 111.922 177.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 57.9 mt -60.51 -31.18 48.19 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.751 0 CA-C-O 122.96 1.362 . . . . 74.12 110.874 -176.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.4 mtt-85 -65.16 -31.35 72.5 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 113.362 0.875 . . . . 75.42 113.362 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -75.71 -37.72 59.2 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 109.373 -0.602 . . . . 73.31 109.373 -176.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -86.76 -50.62 6.63 Favored 'General case' 0 C--O 1.246 0.891 0 N-CA-C 114.332 1.234 . . . . 72.42 114.332 -175.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 47.9 mt -100.34 -3.62 30.83 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.667 -1.271 . . . . 73.23 110.865 -172.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.49 18.7 73.87 Favored Glycine 0 CA--C 1.503 -0.666 0 N-CA-C 116.55 1.38 . . . . 64.21 116.55 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.4 m -142.59 159.84 19.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 117.513 0.656 . . . . 72.13 109.249 -173.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -98.25 107.22 19.63 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 122.24 1.019 . . . . 74.41 109.431 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 tp -65.36 125.77 90.13 Favored Pre-proline 0 C--O 1.237 0.436 0 C-N-CA 119.712 -0.795 . . . . 52.42 110.342 -178.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -60.11 137.07 73.19 Favored 'Trans proline' 0 N--CA 1.464 -0.211 0 C-N-CA 118.508 -0.528 . . . . 63.13 111.609 173.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.1 tt -64.25 -20.91 27.86 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 CA-C-O 121.888 0.852 . . . . 72.34 108.922 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -64.66 -37.98 89.42 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.534 -0.729 . . . . 74.03 110.892 174.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -42.67 95.25 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 108.494 -0.928 . . . . 72.5 108.494 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.3 tp -63.04 -47.56 82.48 Favored 'General case' 0 C--O 1.209 -1.03 0 CA-C-N 115.943 -0.571 . . . . 74.22 110.996 178.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 -73.98 -20.01 60.48 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.84 -0.537 . . . . 73.35 111.924 -174.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 70.7 m -72.21 -28.95 63.51 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.593 0.711 . . . . 70.23 109.997 178.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.2 p -157.75 90.44 2.33 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.396 -0.82 . . . . 62.21 109.059 -177.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -79.11 34.88 0.53 Allowed 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 121.961 1.774 . . . . 74.2 115.891 -173.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.5 p -122.58 149.56 55.89 Favored Pre-proline 0 CA--C 1.497 -1.095 0 N-CA-C 105.233 -2.136 . . . . 71.43 105.233 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -58.28 -41.23 68.57 Favored 'Trans proline' 0 CA--C 1.546 1.083 0 C-N-CA 117.27 -1.353 . . . . 72.2 115.017 -178.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.12 -35.71 78.56 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 120.852 -1.155 . . . . 60.34 110.614 176.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.39 -48.49 84.89 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.825 -0.91 . . . . 53.55 110.825 178.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 76.4 t -58.32 -42.12 83.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 O-C-N 122.305 -0.526 . . . . 55.51 110.038 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.88 -44.49 86.71 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-O 120.647 0.261 . . . . 64.54 111.515 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 53.7 mtp85 -69.6 -38.17 77.17 Favored 'General case' 0 C--O 1.245 0.864 0 C-N-CA 120.105 -0.638 . . . . 74.12 111.767 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.97 -40.53 87.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.783 0.325 . . . . 63.43 111.431 -176.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 pp -76.14 -33.71 59.4 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.636 -0.505 . . . . 52.35 109.636 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.33 -36.99 85.92 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 122.085 -0.384 . . . . 72.35 110.281 176.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.22 86.53 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-O 120.511 0.196 . . . . 72.12 111.057 177.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -70.45 -31.87 69.2 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.979 -0.45 . . . . 70.12 110.092 178.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.7 t -73.71 -31.02 63.2 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 120.929 0.395 . . . . 75.13 110.782 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.32 29.16 0.1 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 113.373 0.879 . . . . 74.44 113.373 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.5 p -72.43 -14.98 61.82 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 112.244 0.461 . . . . 42.22 112.244 177.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 38.4 t-105 52.76 60.35 3.85 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 122.429 1.109 . . . . 75.45 113.073 176.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 27.3 t -146.19 160.17 42.32 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 106.897 -1.52 . . . . 74.4 106.897 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -64.43 144.05 98.54 Favored Pre-proline 0 C--N 1.316 -0.875 0 O-C-N 123.634 0.584 . . . . 64.5 109.792 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -71.38 160.98 47.07 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 116.957 -1.562 . . . . 74.31 111.72 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -130.63 152.09 50.37 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 106.468 -1.679 . . . . 61.21 106.468 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -87.24 160.37 18.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.598 0.713 . . . . 73.31 110.557 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -127.11 156.52 41.61 Favored 'General case' 0 C--O 1.266 1.955 0 N-CA-C 104.361 -2.459 . . . . 75.51 104.361 176.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm . . . . . 0 C--O 1.253 1.287 0 N-CA-C 107.619 -1.252 . . . . 51.43 107.619 179.519 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 CA-C-O 118.858 -0.968 . . . . 65.33 111.149 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.3 157.29 37.27 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.424 -0.954 . . . . 75.11 108.424 176.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 31.3 mmt -77.9 147.14 35.19 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.368 -0.605 . . . . 72.11 109.368 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.35 149.11 42.83 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.799 -0.445 . . . . 62.5 109.799 178.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -96.31 150.9 20.05 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.12 -1.067 . . . . 71.52 108.12 176.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.74 150.96 96.56 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 108.782 -0.821 . . . . 43.03 108.782 176.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.4 163.57 29.73 Favored 'Trans proline' 0 N--CA 1.427 -2.43 0 CA-C-O 122.491 0.955 . . . . 74.34 112.02 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -81.35 164.06 22.42 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.702 -1.135 . . . . 74.21 109.797 -178.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.3 t -113.8 153.84 28.41 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.509 0.671 . . . . 65.22 111.243 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.68 -26.91 63.64 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.868 -0.606 . . . . 73.42 111.143 177.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.2 m -56.42 -43.89 79.84 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 111.705 0.261 . . . . 64.43 111.705 -175.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -57.31 -39.18 75.28 Favored 'General case' 0 C--O 1.214 -0.801 0 C-N-CA 120.854 -0.339 . . . . 74.4 111.105 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -65.34 -42.84 92.48 Favored 'General case' 0 CA--C 1.5 -0.951 0 CA-C-N 115.529 -0.76 . . . . 74.31 112.182 -174.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.5 t -66.77 -45.43 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 N-CA-C 108.324 -0.991 . . . . 75.34 108.324 -177.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.86 -38.17 90.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.528 0.68 . . . . 71.23 112.076 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 47.2 m -59.89 -50.19 74.76 Favored 'General case' 0 C--O 1.21 -1.005 0 CA-C-N 115.929 -0.578 . . . . 62.3 109.795 175.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.85 -33.81 76.89 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 118.039 -1.464 . . . . 33.42 110.374 -175.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mp -68.32 -32.43 72.56 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 123.747 0.819 . . . . 71.0 111.567 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -62.64 -49.26 75.89 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 107.806 -1.183 . . . . 75.45 107.806 175.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.86 -32.03 73.19 Favored 'General case' 0 CA--C 1.563 1.459 0 C-N-CA 119.468 -0.893 . . . . 71.04 111.03 -176.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -67.31 -37.65 83.68 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 125.072 1.482 . . . . 75.21 110.32 -177.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.5 mm -85.33 -39.39 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.828 0 CA-C-N 114.199 -1.364 . . . . 63.34 112.711 -173.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.5 mt -80.05 -23.3 41.49 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 114.906 -1.043 . . . . 63.14 111.761 -177.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.07 33.53 44.98 Favored Glycine 0 C--O 1.228 -0.223 0 C-N-CA 120.546 -0.835 . . . . 41.22 112.858 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.2 m -111.27 154.27 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 109.275 -0.639 . . . . 64.42 109.275 -178.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.44 -38.32 87.14 Favored 'General case' 0 C--O 1.269 2.113 0 CA-C-O 120.911 0.386 . . . . 71.34 111.771 -174.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -149.51 164.83 33.98 Favored 'General case' 0 CA--C 1.486 -1.512 0 N-CA-C 105.338 -2.097 . . . . 73.51 105.338 -176.187 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 12.1 p -154.26 139.45 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.394 -3.248 0 N-CA-C 105.786 -1.931 . . . . 45.22 105.786 -173.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.2 170.13 50.56 Favored Glycine 0 C--O 1.221 -0.701 0 O-C-N 120.857 -1.152 . . . . 72.03 112.718 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -76.29 -17.71 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-O 122.965 1.364 . . . . 64.44 108.333 179.073 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -117.39 18.24 14.42 Favored 'General case' 0 C--O 1.194 -1.854 0 CA-C-N 114.769 -1.105 . . . . 74.3 110.263 -177.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -74.54 128.94 36.79 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.732 -0.667 . . . . 75.15 111.37 -174.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.16 119.05 21.72 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.379 -0.6 . . . . 64.14 109.379 -178.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -47.79 -41.63 23.94 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.789 0.662 . . . . 64.33 112.789 -178.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -73.54 -18.47 61.08 Favored 'General case' 0 C--O 1.221 -0.416 0 N-CA-C 115.098 1.518 . . . . 72.1 115.098 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -77.47 -26.51 51.43 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 108.748 -0.834 . . . . 62.02 108.748 -176.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -86.21 19.39 2.71 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.992 -0.549 . . . . 73.35 110.095 173.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.74 5.67 86.24 Favored Glycine 0 C--O 1.238 0.371 0 O-C-N 121.912 -0.492 . . . . 73.5 113.591 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.3 130.92 49.47 Favored Glycine 0 C--O 1.226 -0.386 0 CA-C-O 122.263 0.924 . . . . 44.22 112.635 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.8 m -128.48 169.64 14.1 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.365 -0.976 . . . . 45.1 108.365 -176.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.7 m -56.79 -31.76 64.97 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.528 0.936 . . . . 61.11 113.528 -178.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.12 -42.21 89.5 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.115 0.483 . . . . 44.02 110.491 176.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.4 mt -70.52 -29.83 66.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.148 -0.315 . . . . 64.31 110.148 177.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.19 -36.26 83.04 Favored 'General case' 0 C--O 1.2 -1.55 0 CA-C-O 121.196 0.522 . . . . 64.24 110.557 176.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.5 mmt -68.29 -38.17 81.4 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.659 -0.651 . . . . 65.4 110.473 176.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.1 -37.53 87.77 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 121.589 -0.694 . . . . 74.35 110.53 175.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.5 tp -62.28 -48.06 81.59 Favored 'General case' 0 C--O 1.209 -1.079 0 CA-C-O 121.263 0.554 . . . . 74.12 110.003 178.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 56.1 mt -59.79 -39.1 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.377 -0.374 . . . . 61.42 110.194 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.94 -41.57 92.13 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.509 -0.477 . . . . 63.23 109.96 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.2 tpt85 -71.71 -36.32 70.48 Favored 'General case' 0 C--O 1.255 1.346 0 CA-C-O 118.801 -0.619 . . . . 71.41 112.44 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.507 HD13 ' HG ' ' A' ' 59' ' ' LEU . 96.8 mt -58.85 -35.42 56.06 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.519 0 CA-C-N 119.204 0.911 . . . . 62.35 110.527 175.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -63.36 -31.94 73.23 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 122.001 -0.437 . . . . 62.01 111.765 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -74.68 -32.42 62.21 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 122.264 1.03 . . . . 64.33 108.723 -176.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -89.9 -52.68 4.85 Favored 'General case' 0 C--O 1.212 -0.885 0 N-CA-C 115.824 1.787 . . . . 72.42 115.824 -174.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 40.8 mt -96.62 -8.71 30.97 Favored 'General case' 0 C--O 1.211 -0.947 0 O-C-N 118.945 -2.347 . . . . 51.4 109.423 -172.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.85 23.49 77.9 Favored Glycine 0 N--CA 1.448 -0.534 0 O-C-N 125.645 1.841 . . . . 62.21 114.396 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.9 p -143.65 141.99 25.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 113.048 0.759 . . . . 61.22 113.048 -172.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.96 89.69 1.92 Allowed 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 109.3 -0.63 . . . . 73.45 109.3 175.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.507 ' HG ' HD13 ' A' ' 51' ' ' ILE . 3.0 tm? -69.13 125.06 91.66 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 108.566 -0.902 . . . . 74.53 108.566 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 59' ' ' LEU . 25.4 Cg_exo -66.49 141.56 61.75 Favored 'Trans proline' 0 CA--C 1.517 -0.346 0 C-N-CA 120.799 0.999 . . . . 71.41 113.685 -177.514 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.9 tt -63.98 -21.77 29.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 121.452 -0.78 . . . . 65.54 109.194 173.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 32.7 mtm180 -60.47 -37.89 82.45 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.895 -0.503 . . . . 75.11 111.114 175.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -40.02 82.75 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 108.993 -0.743 . . . . 72.04 108.993 -177.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 35.5 mt -65.03 -42.66 94.16 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 116.27 -0.423 . . . . 63.11 111.168 178.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -70.08 -29.76 66.82 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.669 -0.413 . . . . 73.22 111.831 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.7 m -71.74 -30.46 65.64 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.058 0.456 . . . . 54.25 111.173 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.8 m -154.83 95.04 2.65 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 109.189 -0.671 . . . . 44.03 109.189 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -78.83 32.89 0.46 Allowed 'Trans proline' 0 CA--C 1.536 0.622 0 N-CA-C 116.03 1.512 . . . . 52.34 116.03 -174.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.4 p -125.26 153.14 71.88 Favored Pre-proline 0 N--CA 1.474 0.755 0 N-CA-C 107.192 -1.41 . . . . 75.41 107.192 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -67.71 -33.06 28.82 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 114.473 -3.218 . . . . 74.1 113.932 -173.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.87 -29.48 58.54 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.652 0.739 . . . . 74.44 109.596 174.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.3 -41.32 94.69 Favored Glycine 0 C--O 1.225 -0.407 0 N-CA-C 111.015 -0.834 . . . . 41.21 111.015 178.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.3 t -59.89 -42.25 88.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 N-CA-C 110.055 -0.35 . . . . 75.23 110.055 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.33 -41.27 79.67 Favored 'General case' 0 CA--C 1.564 1.507 0 CA-C-O 121.658 0.742 . . . . 72.33 111.088 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -72.34 -38.28 68.66 Favored 'General case' 0 C--O 1.223 -0.333 0 O-C-N 120.678 -1.264 . . . . 60.41 110.497 177.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.63 -41.76 87.84 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.928 0.344 . . . . 74.12 111.928 -176.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.2 pp -73.11 -29.43 62.91 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 110.234 -0.284 . . . . 64.33 110.234 178.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.91 -41.17 78.56 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.023 0.439 . . . . 64.11 110.584 177.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.94 99.54 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.02 0.378 . . . . 64.22 112.02 -177.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -74.01 -9.17 58.37 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.959 0.725 . . . . 71.43 112.959 -178.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.9 m -83.5 -15.33 49.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.259 -0.276 . . . . 63.41 110.738 177.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.25 142.72 30.93 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.291 -0.633 . . . . 63.12 109.291 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.0 m -77.25 -20.02 55.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.247 0.546 . . . . 75.25 110.516 176.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 82.8 t90 -71.54 131.45 43.28 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.936 -1.135 . . . . 74.42 107.936 178.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 62.2 m -137.57 144.35 41.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.736 0.303 . . . . 63.34 110.74 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 35.2 p-80 -92.47 152.16 41.93 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 107.305 -1.369 . . . . 73.02 107.305 173.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -72.39 160.77 46.09 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 116.927 -1.582 . . . . 71.11 111.896 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -125.18 135.0 52.17 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.761 -0.829 . . . . 75.02 108.761 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -104.85 137.78 42.11 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.353 -1.351 . . . . 74.3 107.353 173.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -155.05 -179.47 8.1 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.999 -0.741 . . . . 74.35 108.999 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.325 -0.845 . . . . 71.15 112.731 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.954 0 CA-C-O 118.435 -1.203 . . . . 63.55 111.367 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.23 -7.13 59.62 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 118.651 1.225 . . . . 74.21 112.093 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.3 ptm -75.4 159.0 31.89 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.326 -0.397 . . . . 60.33 111.341 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.37 160.76 15.4 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.858 -0.61 . . . . 64.32 112.387 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -61.54 140.65 58.07 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 114.713 -1.13 . . . . 75.03 109.745 176.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.2 151.23 94.27 Favored Pre-proline 0 C--O 1.292 3.31 0 C-N-CA 121.312 -0.155 . . . . 73.51 111.016 175.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -64.54 157.08 57.13 Favored 'Trans proline' 0 C--O 1.264 1.825 0 C-N-CA 121.645 1.563 . . . . 73.41 112.163 177.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -102.35 163.61 12.14 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 105.602 -1.999 . . . . 70.3 105.602 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 p -76.79 168.4 20.16 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.171 0.51 . . . . 62.21 111.582 -178.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.75 -22.01 65.03 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 116.436 -0.347 . . . . 74.3 111.096 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.5 m -77.68 -41.72 37.12 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.333 0.494 . . . . 64.13 112.333 -177.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.53 -44.1 84.87 Favored 'General case' 0 C--O 1.214 -0.813 0 N-CA-C 112.107 0.41 . . . . 72.43 112.107 -177.098 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -62.56 -33.46 74.98 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.48 0.548 . . . . 72.34 112.48 -176.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.2 t -72.44 -45.05 61.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 108.295 -1.002 . . . . 74.25 108.295 -178.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.2 mt -66.83 -40.87 88.15 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-N 115.418 -0.81 . . . . 70.21 111.897 -178.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t -62.4 -46.62 87.77 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.101 -1.074 . . . . 63.1 108.101 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.09 -41.82 97.17 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 119.38 -0.928 . . . . 73.35 111.115 -179.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 mp -61.0 -32.09 71.68 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.25 0.463 . . . . 65.11 112.25 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -63.06 -53.28 56.18 Favored 'General case' 0 C--O 1.21 -1.014 0 N-CA-C 108.943 -0.762 . . . . 72.1 108.943 177.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.02 -46.65 87.68 Favored 'General case' 0 CA--C 1.514 -0.41 0 O-C-N 122.381 -0.199 . . . . 64.45 111.371 -175.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.65 -36.48 83.96 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 113.115 0.783 . . . . 73.2 113.115 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.5 mt -83.29 -37.73 13.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 O-C-N 121.893 -0.505 . . . . 73.1 111.739 -178.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.8 mt -75.93 -25.08 55.63 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 122.341 0.256 . . . . 72.12 110.91 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.51 31.84 49.13 Favored Glycine 0 C--O 1.223 -0.559 0 C-N-CA 121.256 -0.497 . . . . 70.21 112.218 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.9 m -108.22 152.16 10.15 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.921 0 N-CA-C 109.644 -0.502 . . . . 75.01 109.644 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -62.15 -43.36 99.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.429 0.633 . . . . 74.41 112.421 -175.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.7 mtm180 -146.1 162.96 36.79 Favored 'General case' 0 CA--C 1.503 -0.827 0 N-CA-C 107.474 -1.306 . . . . 72.4 107.474 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.2 p -146.87 145.15 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.148 0 N-CA-C 106.125 -1.806 . . . . 74.34 106.125 -177.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.19 167.05 32.58 Favored Glycine 0 C--N 1.316 -0.55 0 O-C-N 121.95 -0.469 . . . . 63.41 112.873 177.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.8 m -74.74 -15.6 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 O-C-N 121.285 -1.126 . . . . 74.05 109.77 176.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -112.18 15.78 20.36 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.644 -1.162 . . . . 73.41 110.161 -177.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -83.37 122.1 28.03 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.112 -0.495 . . . . 72.55 111.269 -174.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.01 131.85 40.93 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.501 -0.926 . . . . 74.34 108.501 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -53.99 -36.5 63.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.349 0.595 . . . . 71.51 112.268 -178.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -81.13 -13.73 58.39 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.627 0.973 . . . . 73.12 113.627 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -74.5 -33.38 62.81 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.263 0.938 . . . . 70.44 109.318 -177.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -78.68 12.64 1.98 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.441 -0.8 . . . . 74.44 109.83 174.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.17 15.88 73.36 Favored Glycine 0 C--O 1.224 -0.505 0 C-N-CA 121.098 -0.572 . . . . 33.33 113.572 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.8 109.41 2.84 Favored Glycine 0 CA--C 1.524 0.609 0 C-N-CA 121.595 -0.336 . . . . 71.13 113.119 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.4 t -64.82 152.64 42.28 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 122.626 0.37 . . . . 72.11 111.506 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 m -62.71 -27.23 69.11 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.135 0.493 . . . . 51.42 110.697 175.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.93 -37.6 70.01 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 121.377 0.608 . . . . 65.3 110.094 175.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 42.2 tp -67.45 -30.2 69.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.067 -0.395 . . . . 62.24 110.451 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.23 -29.88 67.85 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-O 121.031 0.443 . . . . 64.24 111.762 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 62.9 mtt -65.04 -30.34 71.3 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 121.817 -0.552 . . . . 73.41 110.798 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -67.73 -38.93 84.2 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.669 -0.644 . . . . 74.21 110.221 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.9 tp -64.73 -46.49 82.04 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-N 115.574 -0.739 . . . . 65.21 109.368 -178.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.7 mt -61.75 -39.68 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 N-CA-C 109.79 -0.448 . . . . 74.34 109.79 178.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.81 -44.67 84.94 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.021 -0.424 . . . . 53.2 111.886 178.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -33.07 74.88 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.711 -0.618 . . . . 74.21 111.677 -178.108 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.5 mt -60.4 -33.55 54.54 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.401 0 O-C-N 123.453 0.47 . . . . 62.21 110.109 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -63.45 -32.31 73.71 Favored 'General case' 0 CA--C 1.499 -0.995 0 O-C-N 122.078 -0.389 . . . . 73.31 111.917 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -81.53 -38.09 26.76 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 108.152 -1.055 . . . . 65.03 108.152 -177.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -85.64 -37.94 18.92 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.063 0.764 . . . . 75.32 113.063 -170.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.5 mt -112.26 -6.07 14.11 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.207 0.527 . . . . 73.24 110.023 -174.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.27 23.91 76.17 Favored Glycine 0 C--O 1.222 -0.602 0 C-N-CA 120.229 -0.986 . . . . 73.3 113.888 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.6 p -138.19 144.4 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-N 118.113 0.956 . . . . 75.13 111.354 -174.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -77.19 116.38 17.77 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 108.68 -0.859 . . . . 73.3 108.68 174.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -75.83 118.39 70.68 Favored Pre-proline 0 C--N 1.329 -0.301 0 N-CA-C 108.723 -0.843 . . . . 65.41 108.723 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -64.78 129.69 24.13 Favored 'Trans proline' 0 N--CA 1.478 0.566 0 C-N-CA 118.276 -0.683 . . . . 71.24 110.728 177.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.8 tt -62.4 -23.22 31.62 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 O-C-N 120.735 -1.228 . . . . 74.43 111.495 -178.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -66.57 -39.31 88.4 Favored 'General case' 0 C--O 1.22 -0.476 0 O-C-N 121.897 -0.502 . . . . 72.34 111.787 173.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.38 -39.3 86.78 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 109.448 -0.575 . . . . 75.3 109.448 177.089 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 tp -70.39 -49.54 48.0 Favored 'General case' 0 C--O 1.215 -0.731 0 N-CA-C 112.614 0.598 . . . . 45.43 112.614 178.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -71.82 -30.01 65.04 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.734 0.642 . . . . 63.54 112.734 -174.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.9 t -76.1 -22.65 55.31 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 121.796 -0.565 . . . . 72.24 111.495 -178.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.8 p -153.12 79.27 5.67 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 108.372 -0.973 . . . . 62.31 108.372 -178.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -78.73 23.9 0.6 Allowed 'Trans proline' 0 CA--C 1.533 0.454 0 N-CA-C 117.376 2.029 . . . . 73.41 117.376 -170.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 55.5 p -106.67 154.03 40.31 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 106.874 -1.528 . . . . 74.25 106.874 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -67.93 -31.26 31.43 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 113.306 -3.996 . . . . 65.4 114.042 -173.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.59 -28.92 61.12 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.153 -0.619 . . . . 74.02 109.376 175.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.62 -50.8 40.29 Favored Glycine 0 C--O 1.226 -0.377 0 N-CA-C 109.709 -1.356 . . . . 54.31 109.709 179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.0 t -59.46 -35.94 61.66 Favored 'Isoleucine or valine' 0 C--O 1.257 1.488 0 N-CA-C 108.564 -0.902 . . . . 71.01 108.564 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.3 -49.07 73.23 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 112.823 0.675 . . . . 54.53 112.823 -177.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.9 ptt-85 -71.15 -33.56 70.16 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.702 -0.623 . . . . 73.23 112.144 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.16 -39.27 82.64 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.037 -0.529 . . . . 55.54 111.308 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 pp -77.27 -28.0 53.33 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.922 -0.486 . . . . 55.24 110.503 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.13 -35.35 78.47 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 109.243 -0.651 . . . . 73.53 109.243 173.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.88 -14.76 62.89 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 112.505 0.557 . . . . 74.0 112.505 178.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -60.82 -31.0 70.42 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 109.084 -0.71 . . . . 70.34 109.084 176.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.5 m -66.43 -32.42 73.79 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.372 0.508 . . . . 73.51 112.372 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.96 -25.42 55.87 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.471 0.653 . . . . 74.43 110.25 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.3 m -75.8 -0.86 22.57 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 113.227 0.825 . . . . 22.24 113.227 -178.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 51.9 t-105 -61.17 -42.07 97.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.835 0.35 . . . . 75.53 111.066 177.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.2 t -86.22 109.22 18.77 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.779 -0.823 . . . . 73.25 108.779 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 30.7 p-80 -79.09 149.38 73.12 Favored Pre-proline 0 C--N 1.321 -0.673 0 N-CA-C 109.534 -0.543 . . . . 64.31 109.534 178.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -77.27 175.81 10.87 Favored 'Trans proline' 0 C--N 1.348 0.506 0 O-C-N 121.982 0.464 . . . . 73.2 111.673 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -67.35 141.22 57.19 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.72 -0.844 . . . . 70.11 108.72 176.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -73.88 138.99 44.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.968 0.413 . . . . 71.53 112.072 -176.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -99.73 167.77 10.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.48 -0.782 . . . . 75.45 109.824 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.38 0 N-CA-C 104.64 -2.356 . . . . 65.31 104.64 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 CA-C-O 118.45 -1.195 . . . . 74.2 111.087 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.03 -30.93 62.69 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.444 1.122 . . . . 62.33 110.375 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -76.63 143.12 40.37 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.827 -0.624 . . . . 65.12 109.933 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.08 155.37 40.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.012 0.434 . . . . 75.4 110.398 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -83.87 143.49 29.86 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 108.773 -0.825 . . . . 61.51 108.773 175.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.02 155.76 86.37 Favored Pre-proline 0 CA--C 1.543 0.677 0 N-CA-C 107.438 -1.319 . . . . 70.41 107.438 173.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -72.4 159.59 48.92 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 118.35 -0.633 . . . . 70.32 112.815 177.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -76.91 146.67 37.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.505 -0.77 . . . . 75.3 110.314 179.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.6 p -83.54 165.37 19.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.571 0.701 . . . . 62.15 111.041 178.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.52 -34.18 70.69 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.1 0.778 . . . . 73.44 113.1 -178.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.8 -42.06 58.81 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.266 0.469 . . . . 65.54 112.266 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.412 ' HG2' ' HA ' ' A' ' 71' ' ' ALA . 64.3 mt-10 -61.41 -40.39 94.22 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.352 0.501 . . . . 63.43 112.352 -173.229 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -65.53 -32.55 74.21 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.484 0.55 . . . . 74.54 112.484 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 75.4 t -75.24 -44.93 42.49 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 N-CA-C 108.614 -0.884 . . . . 72.11 108.614 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.0 mt -62.55 -38.92 91.9 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 116.253 -0.431 . . . . 73.33 110.586 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 17.7 t -58.72 -49.37 77.86 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.876 -0.787 . . . . 44.53 108.876 175.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.26 -36.95 85.69 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 113.054 0.761 . . . . 32.22 113.054 -178.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.0 -28.05 69.24 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 121.773 -0.58 . . . . 75.32 111.598 177.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -64.05 -47.49 79.97 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 119.491 1.041 . . . . 73.11 108.52 178.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.11 -33.67 75.95 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.365 0.506 . . . . 33.42 112.365 -177.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -61.84 -34.03 75.23 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.179 0.514 . . . . 74.15 112.038 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.3 mm -89.75 -36.69 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.357 0 CA-C-N 114.531 -1.213 . . . . 73.21 112.425 -174.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.2 mt -80.19 -27.09 38.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.855 -1.066 . . . . 73.24 112.575 -177.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.78 31.27 62.62 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 120.45 -0.881 . . . . 64.4 112.714 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.1 m -103.9 158.36 5.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.308 -0.627 . . . . 75.22 109.308 -178.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -61.49 -47.52 85.26 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.983 0.896 . . . . 75.11 111.223 -178.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -144.67 161.99 37.79 Favored 'General case' 0 CA--C 1.476 -1.879 0 CA-C-N 114.95 -1.023 . . . . 73.12 109.083 -178.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.4 p -147.4 145.87 18.74 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.118 0 N-CA-C 103.398 -2.816 . . . . 62.15 103.398 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.39 167.51 21.36 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.329 -0.708 . . . . 31.22 111.329 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -22.27 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 CA-C-O 122.163 0.982 . . . . 72.45 110.45 179.3 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -103.85 14.26 31.22 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 113.759 -1.564 . . . . 73.13 111.744 -177.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.89 130.89 35.27 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 114.401 1.26 . . . . 75.4 114.401 -171.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.8 115.79 16.9 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 120.786 -0.366 . . . . 73.0 110.323 -178.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -47.56 -44.51 26.18 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 114.091 1.145 . . . . 72.12 114.091 -177.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -73.96 -17.64 60.98 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 114.074 1.139 . . . . 75.4 114.074 -175.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -73.69 -34.08 64.7 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.524 0.678 . . . . 64.13 109.386 -178.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.86 17.3 1.21 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.302 -0.863 . . . . 75.25 110.753 176.068 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.91 18.62 69.52 Favored Glycine 0 C--O 1.236 0.271 0 C-N-CA 121.032 -0.604 . . . . 74.32 112.886 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.84 87.63 0.29 Allowed Glycine 0 CA--C 1.516 0.142 0 CA-C-O 122.213 0.896 . . . . 73.32 113.925 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.0 p -71.71 166.26 22.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.275 0.559 . . . . 42.24 110.872 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.2 p -61.18 -28.96 69.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.018 0.437 . . . . 74.14 110.799 176.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.41 -42.81 87.23 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.374 -0.375 . . . . 60.32 110.224 177.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.9 mt -68.05 -35.68 78.63 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.538 -0.171 . . . . 61.44 110.538 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.73 -37.34 70.84 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.077 0.399 . . . . 75.24 112.077 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.5 mmt -62.78 -33.02 74.31 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 112.228 0.455 . . . . 75.34 112.228 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -73.87 -33.61 64.14 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.813 -0.554 . . . . 74.12 109.641 178.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.97 -43.5 82.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.217 0.532 . . . . 73.2 109.982 178.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.09 -37.55 78.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.106 -0.701 . . . . 71.44 109.106 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.14 -43.66 86.43 Favored 'General case' 0 C--O 1.205 -1.237 0 C-N-CA 120.723 -0.391 . . . . 54.24 111.231 177.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -62.96 -41.26 99.47 Favored 'General case' 0 CA--C 1.493 -1.241 0 O-C-N 121.472 -0.767 . . . . 72.3 110.637 179.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.425 HG23 HD12 ' A' ' 55' ' ' LEU . 46.1 mt -56.37 -33.61 38.66 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 N-CA-C 113.02 0.748 . . . . 74.04 113.02 -179.355 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.8 mtm105 -65.71 -32.98 74.83 Favored 'General case' 0 C--O 1.196 -1.749 0 N-CA-C 113.876 1.065 . . . . 74.32 113.876 178.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -78.73 -37.41 41.43 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 107.898 -1.149 . . . . 75.22 107.898 -175.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -90.08 -48.49 7.16 Favored 'General case' 0 N--CA 1.435 -1.194 0 CA-C-N 114.328 -1.306 . . . . 64.52 111.958 -169.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.425 HD12 HG23 ' A' ' 51' ' ' ILE . 67.2 mt -98.76 -8.84 25.36 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 121.635 0.731 . . . . 73.53 111.512 -177.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.26 18.61 79.98 Favored Glycine 0 N--CA 1.466 0.646 0 N-CA-C 115.632 1.013 . . . . 74.33 115.632 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.9 m -143.33 155.2 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 117.79 0.795 . . . . 42.02 110.428 -176.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -82.91 122.07 27.78 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.56 -0.904 . . . . 71.15 108.56 175.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -69.1 121.89 83.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 107.9 -1.148 . . . . 75.04 107.9 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.76 111.24 1.64 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 O-C-N 121.896 0.419 . . . . 75.34 111.45 177.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.7 tt -58.85 -24.39 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-O 121.079 0.466 . . . . 74.35 112.217 -177.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.43 -39.73 88.5 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.609 -0.682 . . . . 73.25 110.88 174.225 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -77.08 -30.82 55.64 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.722 -0.474 . . . . 74.34 109.722 -177.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.0 tp -64.85 -47.34 78.27 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-O 121.144 0.497 . . . . 52.14 110.574 177.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -73.63 -25.57 60.36 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.069 -0.653 . . . . 74.04 111.994 -179.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.4 m -75.69 -24.58 56.29 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.855 0.359 . . . . 70.44 110.79 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.9 m -147.73 87.68 5.84 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 108.742 -0.836 . . . . 71.04 108.742 -178.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -75.62 8.61 2.57 Favored 'Trans proline' 0 N--CA 1.475 0.413 0 N-CA-C 115.624 1.356 . . . . 43.14 115.624 -174.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 65.6 p -98.12 149.22 35.51 Favored Pre-proline 0 C--N 1.327 -0.385 0 N-CA-C 108.95 -0.759 . . . . 61.31 108.95 177.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.05 -30.29 32.36 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 116.257 -2.029 . . . . 72.51 113.544 -175.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.412 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . . . -77.4 -29.98 53.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.56 -0.713 . . . . 64.23 110.552 173.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.61 -47.09 58.7 Favored Glycine 0 CA--C 1.501 -0.823 0 N-CA-C 110.562 -1.015 . . . . 71.14 110.562 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.2 p -64.49 -35.1 73.5 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.373 0 N-CA-C 109.202 -0.666 . . . . 64.41 109.202 -177.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.19 97.09 Favored 'General case' 0 C--O 1.212 -0.873 0 O-C-N 123.45 0.469 . . . . 74.04 111.281 177.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -74.63 -33.19 62.51 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.387 -0.369 . . . . 72.34 110.508 -178.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.99 -41.12 78.27 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 112.21 0.448 . . . . 72.34 112.21 178.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.2 pp -77.42 -29.34 52.97 Favored 'General case' 0 C--O 1.219 -0.505 0 O-C-N 121.853 -0.529 . . . . 51.12 110.637 177.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.33 -32.41 74.0 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.814 -0.554 . . . . 51.21 110.144 175.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.87 -15.73 63.19 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-N 116.459 -0.337 . . . . 51.41 111.469 177.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -88.03 -17.07 31.95 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.718 0.636 . . . . 75.11 112.718 179.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.9 p -98.88 -2.58 37.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.995 0.426 . . . . 23.55 110.442 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.88 154.06 42.47 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.298 -0.63 . . . . 74.32 109.298 176.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.8 m -60.6 -22.17 63.46 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 113.71 1.004 . . . . 74.32 113.71 -178.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 15.0 m-90 -130.54 136.02 48.51 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 105.968 -1.864 . . . . 74.1 105.968 173.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.5 t -150.64 162.64 40.28 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.806 -0.813 . . . . 62.5 108.806 -178.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -67.04 151.27 97.31 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 108.686 -0.857 . . . . 74.43 108.686 176.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.7 159.35 54.05 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 117.039 -1.507 . . . . 75.34 112.069 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -157.08 -44.66 0.07 Allowed 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.507 -0.315 . . . . 73.54 110.825 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -114.08 158.76 20.81 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.984 -1.117 . . . . 72.31 107.984 176.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -154.34 177.84 10.7 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 104.348 -2.464 . . . . 74.54 104.348 177.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? . . . . . 0 C--O 1.243 0.743 0 CA-C-O 117.749 -1.12 . . . . 53.52 109.858 179.402 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.864 0 CA-C-O 118.994 -0.892 . . . . 74.22 111.092 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.42 -29.72 59.83 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 118.356 1.078 . . . . 72.54 109.823 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -74.11 148.86 41.42 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.096 -0.502 . . . . 75.2 110.23 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.94 145.03 56.58 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 107.956 -1.127 . . . . 65.34 107.956 174.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -72.81 156.03 39.32 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 109.357 -0.608 . . . . 62.1 109.357 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.92 151.6 97.06 Favored Pre-proline 0 C--O 1.244 0.776 0 N-CA-C 107.489 -1.3 . . . . 75.51 107.489 175.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -71.83 159.72 49.84 Favored 'Trans proline' 0 C--O 1.218 -0.486 0 CA-C-O 121.4 0.5 . . . . 74.41 111.039 176.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -81.69 153.11 26.76 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.94 -0.573 . . . . 61.15 111.224 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.2 m -80.38 148.32 30.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.217 0.532 . . . . 55.02 111.673 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.65 -25.78 68.37 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 112.694 0.627 . . . . 55.21 112.694 -177.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.52 -39.37 93.31 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 114.347 1.24 . . . . 73.12 114.347 -177.222 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -40.13 93.26 Favored 'General case' 0 C--O 1.202 -1.415 0 N-CA-C 114.174 1.176 . . . . 53.2 114.174 -173.064 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -69.11 -30.95 69.34 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 120.614 -0.434 . . . . 74.42 111.167 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.3 t -70.52 -44.03 77.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 107.511 -1.292 . . . . 63.04 107.511 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.6 mt -63.26 -43.09 98.96 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.131 -0.94 . . . . 74.14 110.901 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -45.03 88.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.608 -0.269 . . . . 74.31 111.175 177.505 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.43 -41.95 83.94 Favored 'General case' 0 C--O 1.212 -0.889 0 C-N-CA 120.459 -0.497 . . . . 71.24 111.438 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.409 HD22 ' HB3' ' A' ' 50' ' ' ARG . 45.3 mt -64.47 -29.93 70.97 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 121.967 -0.458 . . . . 65.54 111.766 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -59.42 -46.0 89.95 Favored 'General case' 0 C--O 1.247 0.953 0 N-CA-C 108.339 -0.986 . . . . 75.14 108.339 174.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.06 -43.21 99.23 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 113.013 0.745 . . . . 51.31 113.013 -179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -60.03 -33.37 71.92 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 112.626 0.602 . . . . 73.54 112.626 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.2 mm -90.7 -37.36 9.3 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 N-CA-C 114.134 1.161 . . . . 63.02 114.134 -177.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.4 mt -88.48 -23.96 23.1 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 122.869 0.468 . . . . 74.11 112.007 -175.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.83 25.95 65.96 Favored Glycine 0 C--O 1.224 -0.516 0 C-N-CA 121.408 -0.425 . . . . 74.4 113.124 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.1 m -97.91 152.69 4.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.992 0.425 . . . . 70.31 109.897 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -69.53 -29.65 67.3 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 114.499 1.296 . . . . 54.43 114.499 -173.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 35.3 ptt85 -149.07 166.17 29.53 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.639 -0.71 . . . . 74.03 111.186 177.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.4 t -137.17 137.16 46.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 107.827 -1.175 . . . . 72.11 107.827 177.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.88 166.51 13.54 Favored Glycine 0 C--O 1.218 -0.903 0 N-CA-C 110.04 -1.224 . . . . 72.31 110.04 175.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 30.2 m -64.97 -22.81 32.16 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.481 0 CA-C-N 118.145 0.972 . . . . 71.11 113.061 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -108.25 15.03 24.46 Favored 'General case' 0 C--O 1.212 -0.896 0 CA-C-O 121.7 0.762 . . . . 73.35 112.66 -178.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.65 113.3 18.75 Favored 'General case' 0 N--CA 1.443 -0.797 0 O-C-N 121.007 -1.058 . . . . 74.2 111.157 -174.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.9 120.92 22.7 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-O 121.643 0.735 . . . . 53.55 110.9 -175.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -46.6 -42.8 16.67 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 114.806 -1.088 . . . . 75.31 113.331 -178.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -74.2 -21.53 59.77 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.397 1.258 . . . . 54.03 114.397 -176.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -85.96 -19.44 30.42 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 109.106 -0.702 . . . . 71.32 109.106 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.0 mt -89.32 20.21 3.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.068 -0.969 . . . . 53.42 110.386 175.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.08 4.24 72.05 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 115.586 0.994 . . . . 63.23 115.586 177.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.48 151.76 51.63 Favored Glycine 0 C--O 1.219 -0.823 0 CA-C-O 122.127 0.848 . . . . 71.2 113.475 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.1 t -141.55 164.92 28.92 Favored 'General case' 0 CA--C 1.5 -0.943 0 N-CA-C 107.175 -1.417 . . . . 63.43 107.175 -177.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.1 m -61.0 -29.04 69.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.945 0.403 . . . . 54.35 110.029 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.53 -41.46 98.48 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.045 0.45 . . . . 72.0 110.585 176.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.6 mt -79.21 -27.74 42.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.174 -0.466 . . . . 74.03 110.373 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.96 -37.76 83.52 Favored 'General case' 0 C--O 1.204 -1.302 0 N-CA-C 109.52 -0.548 . . . . 42.02 109.52 178.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.4 mmt -64.15 -33.84 76.71 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 122.161 -0.337 . . . . 72.11 111.356 177.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -70.82 -37.34 73.2 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 122.068 -0.395 . . . . 75.51 110.861 176.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 52.2 tp -62.95 -46.42 87.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.725 0.774 . . . . 75.44 109.42 178.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.7 mt -62.2 -38.04 80.03 Favored 'Isoleucine or valine' 0 C--N 1.343 0.286 0 N-CA-C 109.382 -0.599 . . . . 73.4 109.382 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.61 -42.67 99.72 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 120.137 -0.625 . . . . 75.41 111.062 178.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.409 ' HB3' HD22 ' A' ' 18' ' ' LEU . 6.8 mmt85 -66.57 -32.1 73.22 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 121.123 0.487 . . . . 73.31 111.543 178.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.6 mt -66.42 -31.06 51.89 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.356 0 N-CA-C 108.485 -0.931 . . . . 55.32 108.485 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -66.37 -28.53 68.72 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 118.334 0.516 . . . . 72.2 111.931 175.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -77.93 -40.25 40.19 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 107.979 -1.119 . . . . 75.31 107.979 -178.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -88.18 -40.31 13.81 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 115.822 1.786 . . . . 54.14 115.822 -173.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.9 mt -109.33 -5.92 15.68 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-O 121.14 0.495 . . . . 65.4 109.776 -175.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.7 16.55 76.13 Favored Glycine 0 N--CA 1.465 0.614 0 N-CA-C 115.042 0.777 . . . . 54.32 115.042 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 30.6 m -140.83 157.16 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 117.464 0.632 . . . . 71.51 111.171 -176.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.57 108.98 20.28 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.447 -0.575 . . . . 74.11 109.447 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.513 HD22 ' HD2' ' A' ' 60' ' ' PRO . 1.0 OUTLIER -65.59 120.44 68.35 Favored Pre-proline 0 CA--C 1.539 0.541 0 N-CA-C 108.906 -0.776 . . . . 63.44 108.906 177.724 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.513 ' HD2' HD22 ' A' ' 59' ' ' LEU . 9.6 Cg_endo -60.8 125.74 17.96 Favored 'Trans proline' 0 CA--C 1.471 -2.642 0 CA-C-N 119.307 0.788 . . . . 72.24 112.498 175.06 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.9 tt -60.19 -21.38 22.26 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 CA-C-O 122.06 0.933 . . . . 60.42 113.446 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -61.28 -36.17 79.32 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-O 122.271 1.034 . . . . 65.03 111.709 176.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -75.21 -36.98 61.33 Favored 'General case' 0 N--CA 1.394 -3.243 0 CA-C-N 113.433 -1.712 . . . . 74.22 110.787 -175.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.8 tp -64.42 -42.34 96.09 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.678 -0.692 . . . . 71.1 112.578 172.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -70.76 -31.5 68.33 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.633 -0.667 . . . . 74.01 111.936 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.3 m -74.3 -26.38 60.14 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.095 0.474 . . . . 54.41 110.863 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.2 m -149.28 91.04 4.55 Favored Pre-proline 0 C--O 1.219 -0.551 0 N-CA-C 109.211 -0.663 . . . . 53.25 109.211 -178.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -77.52 1.17 9.06 Favored 'Trans proline' 0 C--O 1.216 -0.577 0 N-CA-C 116.766 1.795 . . . . 72.23 116.766 -174.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 72.2 p -92.98 154.2 41.81 Favored Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 108.975 -0.75 . . . . 51.1 108.975 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -67.5 -33.05 30.23 Favored 'Trans proline' 0 CA--C 1.535 0.534 0 C-N-CA 115.842 -2.305 . . . . 70.34 113.983 -177.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.24 -32.84 63.14 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 121.595 -0.691 . . . . 71.31 109.891 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.76 -48.0 58.01 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 110.665 -0.974 . . . . 62.03 110.665 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.1 p -68.31 -27.47 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.563 0 C-N-CA 119.736 -0.785 . . . . 61.44 110.326 -177.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.58 -48.35 69.86 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-O 121.789 0.804 . . . . 43.33 110.426 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -70.84 -33.34 70.56 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.138 -0.976 . . . . 65.44 110.232 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.0 89.74 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 112.192 0.441 . . . . 63.45 112.192 178.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 pp -75.9 -32.74 59.79 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.323 -0.551 . . . . 65.23 110.303 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.62 -31.18 72.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.956 0.408 . . . . 55.21 110.947 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.01 -15.77 46.61 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.499 0.555 . . . . 64.1 112.499 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -68.43 -26.26 65.43 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.435 -0.791 . . . . 72.42 112.693 177.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.5 t -69.09 -37.79 78.63 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.509 -0.923 . . . . 34.04 108.509 176.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.83 -22.52 62.32 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 121.509 0.671 . . . . 75.12 110.343 177.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.6 m -88.44 14.14 10.35 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.612 -0.722 . . . . 61.42 111.604 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 58.5 30.11 19.28 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.662 0.986 . . . . 71.23 113.662 176.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 54.0 m -69.55 141.46 53.82 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.689 -0.632 . . . . 75.13 110.397 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -68.92 145.14 96.5 Favored Pre-proline 0 C--O 1.242 0.678 0 CA-C-N 116.348 -0.387 . . . . 70.42 111.034 -177.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -77.44 168.61 22.52 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 118.287 -0.676 . . . . 74.45 112.19 178.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -75.02 157.71 34.43 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.131 -1.433 . . . . 64.4 107.131 174.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -65.59 138.88 58.32 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.969 -0.752 . . . . 74.22 108.969 176.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -71.06 163.45 27.56 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 108.217 -1.031 . . . . 72.22 108.217 177.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 108.653 -0.869 . . . . 64.03 108.653 -178.337 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.523 0 CA-C-O 118.785 -1.008 . . . . 74.34 111.239 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.99 159.69 32.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 117.998 0.899 . . . . 63.12 108.734 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 67.0 mtt -78.66 145.92 34.34 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.373 -0.973 . . . . 70.43 108.373 175.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.84 155.24 33.13 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.177 -0.675 . . . . 70.02 109.177 177.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -64.49 125.18 23.85 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 106.377 -1.712 . . . . 64.32 106.377 173.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.88 143.93 98.89 Favored Pre-proline 0 C--O 1.244 0.766 0 N-CA-C 109.437 -0.579 . . . . 45.54 109.437 -179.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -75.64 179.35 6.31 Favored 'Trans proline' 0 C--N 1.349 0.565 0 O-C-N 122.498 0.736 . . . . 70.24 111.074 176.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -61.27 124.66 21.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.26 0.552 . . . . 73.43 109.626 177.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 m -80.7 156.46 26.28 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.202 -0.666 . . . . 72.21 109.202 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.53 -26.75 63.83 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.01 0.433 . . . . 64.11 111.311 177.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.31 -36.68 79.67 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.006 0.743 . . . . 62.22 113.006 177.627 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -63.62 -41.27 98.31 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.646 -0.252 . . . . 54.31 111.334 -171.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -68.01 -30.89 70.24 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 120.486 -0.486 . . . . 70.24 112.105 178.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.3 t -70.04 -46.06 74.23 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.568 0 N-CA-C 107.377 -1.342 . . . . 72.14 107.377 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -63.64 -38.76 92.35 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.46 -0.336 . . . . 70.23 111.358 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.0 m -57.43 -47.98 80.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.907 0.384 . . . . 64.14 110.463 174.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.68 -35.28 78.54 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.342 -0.849 . . . . 70.42 111.337 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.478 HD22 ' HG2' ' A' ' 50' ' ' ARG . 25.6 mt -65.7 -32.91 74.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.199 -0.313 . . . . 74.11 111.021 179.182 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -63.32 -49.38 74.2 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 106.938 -1.504 . . . . 74.13 106.938 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.51 -47.78 78.59 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.358 0.599 . . . . 73.5 111.989 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.432 ' HB3' HH12 ' A' ' 50' ' ' ARG . 39.9 mm-40 -60.39 -34.69 74.27 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.506 0.928 . . . . 73.32 113.506 -177.483 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.9 mt -92.33 -37.87 9.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 112.726 0.639 . . . . 60.04 112.726 -173.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.0 mt -85.77 -24.87 26.68 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 123.259 0.624 . . . . 71.33 111.643 -176.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.32 33.78 31.06 Favored Glycine 0 C--O 1.225 -0.445 0 C-N-CA 120.667 -0.778 . . . . 63.51 112.931 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 m -108.07 147.82 12.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-O 120.995 0.426 . . . . 73.15 110.039 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -72.44 -26.68 61.93 Favored 'General case' 0 CA--C 1.503 -0.863 0 N-CA-C 114.539 1.311 . . . . 75.14 114.539 -175.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.2 tpt85 -143.95 158.7 43.53 Favored 'General case' 0 N--CA 1.438 -1.059 0 O-C-N 121.877 -0.514 . . . . 72.32 109.852 -177.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.2 t -148.09 133.82 11.64 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.309 0 N-CA-C 106.989 -1.485 . . . . 74.33 106.989 175.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.39 171.16 31.96 Favored Glycine 0 C--N 1.342 0.906 0 N-CA-C 110.782 -0.927 . . . . 74.32 110.782 175.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.43 -22.91 20.82 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.846 0 C-N-CA 119.883 -0.727 . . . . 71.34 109.229 179.449 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -107.95 15.89 23.97 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-N 114.593 -1.185 . . . . 71.12 112.134 -176.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.98 126.9 31.03 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 112.659 0.615 . . . . 63.25 112.659 -175.137 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.96 116.12 18.22 Favored 'General case' 0 C--O 1.211 -0.951 0 CA-C-O 121.561 0.696 . . . . 74.14 109.258 -177.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -51.77 -40.91 61.14 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 115.431 -0.804 . . . . 72.1 111.657 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -76.25 -22.93 54.57 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.565 0.95 . . . . 73.1 113.565 -177.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -77.18 -31.3 55.3 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 107.566 -1.272 . . . . 72.12 107.566 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.7 mt -76.17 11.89 1.35 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.759 -1.109 . . . . 44.32 111.275 173.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.47 4.72 76.43 Favored Glycine 0 N--CA 1.464 0.552 0 CA-C-O 122.466 1.037 . . . . 51.32 115.37 177.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.73 83.1 0.29 Allowed Glycine 0 CA--C 1.529 0.945 0 N-CA-C 115.329 0.892 . . . . 50.3 115.329 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 50.4 m -66.48 161.93 21.75 Favored 'General case' 0 C--O 1.218 -0.557 0 O-C-N 122.671 -0.311 . . . . 42.44 110.848 176.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.3 m -58.79 -29.45 66.83 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.338 0.866 . . . . 74.33 113.338 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.18 -37.89 75.26 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.267 0.556 . . . . 70.14 110.258 176.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.9 tp -70.35 -29.32 65.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.414 0.626 . . . . 72.12 109.541 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.35 -30.07 66.45 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-O 122.002 0.906 . . . . 71.23 112.751 175.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 95.6 mtp -62.98 -35.18 79.33 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 120.829 -1.169 . . . . 74.25 110.048 178.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 ttm-85 -68.39 -36.28 78.91 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.476 -0.765 . . . . 75.31 109.549 177.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 53.2 tp -64.02 -47.42 80.33 Favored 'General case' 0 C--O 1.219 -0.553 0 N-CA-C 109.816 -0.438 . . . . 64.14 109.816 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.7 mt -60.51 -40.09 83.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.907 -0.588 . . . . 44.51 110.217 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.64 94.1 Favored 'General case' 0 C--O 1.213 -0.849 0 C-N-CA 121.308 -0.157 . . . . 74.0 110.927 178.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.478 ' HG2' HD22 ' A' ' 18' ' ' LEU . 8.2 tpt180 -67.48 -34.36 76.99 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 123.521 0.513 . . . . 70.52 109.831 -176.323 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.6 mt -63.4 -27.67 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.291 0 N-CA-C 108.832 -0.803 . . . . 62.33 108.832 -175.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -63.0 -33.05 74.6 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-O 121.232 0.539 . . . . 75.02 112.287 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -80.43 -37.17 32.57 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.133 -1.062 . . . . 65.43 108.133 -174.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.431 ' HG3' HD21 ' A' ' 18' ' ' LEU . 72.2 mm-40 -82.75 -38.9 22.6 Favored 'General case' 0 C--O 1.188 -2.157 0 N-CA-C 114.475 1.287 . . . . 74.22 114.475 -174.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 mt -117.18 -2.16 11.71 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 113.618 0.97 . . . . 70.3 113.618 -171.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.29 26.14 74.33 Favored Glycine 0 C--O 1.219 -0.828 0 CA-C-N 115.79 -0.641 . . . . 61.44 111.77 178.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.9 p -145.13 148.26 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 O-C-N 122.148 -0.619 . . . . 75.51 111.349 -171.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -92.75 117.81 30.4 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.017 -1.105 . . . . 70.15 108.017 174.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.3 tp -64.71 125.04 88.0 Favored Pre-proline 0 C--N 1.321 -0.633 0 C-N-CA 120.175 -0.61 . . . . 71.53 110.845 -177.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.67 120.1 7.29 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 118.275 -0.683 . . . . 64.44 111.035 172.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.2 tt -63.82 -23.24 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 O-C-N 121.685 -0.634 . . . . 73.13 112.006 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.2 mtp85 -63.39 -34.38 77.6 Favored 'General case' 0 CA--C 1.503 -0.855 0 CA-C-O 119.247 -0.406 . . . . 73.23 110.153 174.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -37.63 69.87 Favored 'General case' 0 C--O 1.206 -1.21 0 CA-C-N 119.704 1.138 . . . . 52.13 108.847 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.4 tp -64.96 -45.42 85.77 Favored 'General case' 0 C--O 1.213 -0.867 0 C-N-CA 120.578 -0.449 . . . . 63.12 111.448 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.0 m-30 -70.46 -26.86 63.84 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.393 -0.523 . . . . 72.34 112.118 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.7 t -78.29 -26.11 46.9 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.358 0.599 . . . . 73.33 111.156 178.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.3 m -148.89 87.96 5.31 Favored Pre-proline 0 N--CA 1.449 -0.493 0 N-CA-C 108.45 -0.944 . . . . 71.21 108.45 -177.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -78.73 24.98 0.56 Allowed 'Trans proline' 0 N--CA 1.48 0.685 0 C-N-CA 122.041 1.827 . . . . 70.34 116.113 -175.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.4 p -117.38 153.77 50.22 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 108.661 -0.866 . . . . 72.24 108.661 178.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.95 -28.15 24.67 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 115.841 -2.306 . . . . 60.03 112.608 -174.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.2 -37.07 46.4 Favored 'General case' 0 N--CA 1.439 -0.994 0 C-N-CA 119.439 -0.905 . . . . 54.51 112.063 173.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.39 -43.57 87.2 Favored Glycine 0 C--N 1.308 -1.018 0 C-N-CA 119.348 -1.406 . . . . 52.32 109.882 -175.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.45 -33.66 65.2 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 113.752 1.019 . . . . 74.25 113.752 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.57 -41.27 96.39 Favored 'General case' 0 C--O 1.209 -1.038 0 O-C-N 121.588 -0.695 . . . . 74.12 110.853 178.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -76.47 -37.02 57.54 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 124.9 2.286 . . . . 63.23 108.591 -173.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.6 -43.85 95.74 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 111.76 -2.473 . . . . 74.33 110.529 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.01 -32.6 61.67 Favored 'General case' 0 C--O 1.212 -0.889 0 O-C-N 121.285 -0.884 . . . . 74.54 111.125 176.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.73 -30.23 70.63 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.475 -0.49 . . . . 53.12 111.337 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.74 -27.19 67.75 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 116.598 -0.274 . . . . 72.43 111.213 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -68.75 -12.4 61.41 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 113.085 0.772 . . . . 64.04 113.085 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 90.2 p -85.26 -9.65 57.46 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 122.223 -0.298 . . . . 54.5 111.433 177.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -96.22 166.09 11.9 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.591 -0.522 . . . . 62.33 109.591 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 m -71.64 -1.24 12.99 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 113.191 0.812 . . . . 63.2 113.191 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 6.8 p90 -139.27 131.19 27.72 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 105.014 -2.217 . . . . 73.3 105.014 177.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 82.3 p -152.93 174.28 14.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.967 0.413 . . . . 42.02 111.604 -173.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -69.69 144.64 94.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.033 -0.728 . . . . 75.33 109.033 178.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.24 151.53 66.36 Favored 'Trans proline' 0 C--O 1.241 0.658 0 C-N-CA 117.238 -1.375 . . . . 74.11 114.681 -176.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -144.45 148.79 35.02 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 104.363 -2.458 . . . . 75.42 104.363 178.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -113.32 151.11 31.6 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 123.645 0.591 . . . . 74.13 109.576 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -85.63 -159.3 0.44 Allowed 'General case' 0 C--N 1.321 -0.669 0 O-C-N 124.059 0.849 . . . . 73.01 109.859 -178.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp . . . . . 0 C--O 1.244 0.807 0 N-CA-C 107.117 -1.438 . . . . 74.34 107.117 179.274 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.999 0 CA-C-O 117.565 -1.686 . . . . 74.25 111.18 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.86 153.26 48.3 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 105.829 -1.915 . . . . 60.4 105.829 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.8 ptt? -76.95 152.29 35.34 Favored 'General case' 0 C--O 1.244 0.776 0 O-C-N 123.161 0.288 . . . . 75.14 110.36 -178.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.57 152.51 35.92 Favored 'General case' 0 C--O 1.249 1.05 0 N-CA-C 108.919 -0.771 . . . . 70.43 108.919 177.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -80.73 148.35 30.16 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 106.032 -1.84 . . . . 64.01 106.032 172.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.82 153.8 95.56 Favored Pre-proline 0 C--N 1.313 -0.993 0 N-CA-C 106.155 -1.794 . . . . 64.52 106.155 174.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -69.6 162.87 40.3 Favored 'Trans proline' 0 CA--C 1.514 -0.512 0 C-N-CA 115.465 -2.557 . . . . 52.15 114.032 177.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.52 151.97 27.15 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.265 -0.88 . . . . 73.34 110.872 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.0 m -114.47 150.83 34.19 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.634 -0.712 . . . . 75.41 109.866 -177.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.58 -35.0 79.05 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-N 115.883 -0.599 . . . . 50.0 111.012 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.2 m -55.17 -40.51 70.74 Favored 'General case' 0 C--O 1.207 -1.173 0 C-N-CA 123.288 0.635 . . . . 75.44 111.351 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -62.45 -35.14 78.36 Favored 'General case' 0 CA--C 1.49 -1.334 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.544 -178.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.98 -35.79 69.61 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-O 121.596 0.712 . . . . 73.33 111.609 -175.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.2 t -65.86 -43.83 92.97 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.314 0 N-CA-C 105.858 -1.904 . . . . 75.54 105.858 177.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.2 mt -64.57 -39.27 93.43 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 115.752 -0.658 . . . . 63.34 112.096 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 66.6 m -58.68 -46.29 87.56 Favored 'General case' 0 C--O 1.214 -0.767 0 N-CA-C 112.434 0.531 . . . . 55.31 112.434 176.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.69 -36.63 78.74 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.343 -0.848 . . . . 71.14 110.712 -179.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mp -70.49 -30.47 67.27 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.95 -0.389 . . . . 73.33 109.95 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -63.3 -46.21 87.78 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 106.415 -1.698 . . . . 74.34 106.415 174.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.25 92.15 Favored 'General case' 0 N--CA 1.435 -1.175 0 N-CA-C 116.009 1.855 . . . . 53.42 116.009 -178.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -73.35 -27.47 61.51 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 120.725 -1.234 . . . . 73.23 111.794 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.7 mm -87.58 -37.95 11.43 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.844 0 N-CA-C 113.284 0.846 . . . . 73.23 113.284 -178.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.1 mt -84.07 -23.91 30.62 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.044 -1.095 . . . . 71.31 108.044 -177.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.91 19.78 77.07 Favored Glycine 0 C--O 1.241 0.539 0 CA-C-O 118.701 -1.055 . . . . 73.13 112.49 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.5 m -90.98 162.77 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.713 0 CA-C-N 117.721 0.76 . . . . 44.43 109.648 -177.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.26 -26.38 39.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.266 0.555 . . . . 75.52 112.475 -174.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -148.76 155.06 40.44 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 113.124 0.787 . . . . 71.11 113.124 -176.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.9 t -138.79 130.2 35.77 Favored 'Isoleucine or valine' 0 C--O 1.258 1.548 0 O-C-N 123.903 0.752 . . . . 71.5 109.896 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.12 164.86 34.0 Favored Glycine 0 CA--C 1.541 1.664 0 C-N-CA 120.798 -0.715 . . . . 74.31 111.429 172.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -70.15 -18.25 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 O-C-N 121.046 -1.267 . . . . 72.5 110.877 177.044 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -114.13 17.08 17.94 Favored 'General case' 0 C--O 1.206 -1.206 0 N-CA-C 109.117 -0.698 . . . . 40.54 109.117 -174.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.89 126.36 33.42 Favored 'General case' 0 C--O 1.244 0.767 0 C-N-CA 120.176 -0.61 . . . . 65.54 111.23 -175.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.401 ' HB3' ' HB2' ' A' ' 36' ' ' ASP . . . -79.12 134.76 36.72 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-O 122.225 1.012 . . . . 65.33 109.12 -177.243 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -56.46 -38.53 71.78 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 115.799 -0.637 . . . . 75.24 111.751 -178.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -79.79 -18.94 49.75 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.756 1.021 . . . . 74.31 113.756 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.401 ' HB2' ' HB3' ' A' ' 33' ' ' ALA . 37.7 t0 -75.92 -34.81 59.92 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 107.104 -1.443 . . . . 71.54 107.104 -178.195 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.4 mt -79.75 20.62 0.58 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.559 -1.2 . . . . 72.44 113.466 174.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.29 6.9 68.15 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 114.524 0.57 . . . . 65.25 114.524 175.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.45 169.55 54.09 Favored Glycine 0 C--O 1.214 -1.149 0 C-N-CA 120.079 -1.057 . . . . 60.14 114.56 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 88.3 p -144.86 166.3 25.66 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.587 -0.523 . . . . 74.31 109.587 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.7 m -59.97 -32.0 70.41 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.983 0.734 . . . . 73.11 112.983 177.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.89 -42.46 66.76 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 123.673 0.608 . . . . 45.35 110.532 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.2 tp -66.22 -32.05 73.25 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 121.676 0.751 . . . . 75.53 109.994 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.97 -29.05 66.9 Favored 'General case' 0 C--O 1.191 -1.986 0 CA-C-O 121.456 0.646 . . . . 72.03 111.167 -178.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 59.9 mtt -64.79 -28.24 69.43 Favored 'General case' 0 C--O 1.212 -0.914 0 O-C-N 121.729 -0.607 . . . . 75.13 111.356 178.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -76.08 -37.94 57.62 Favored 'General case' 0 C--O 1.249 1.031 0 N-CA-C 108.458 -0.942 . . . . 64.34 108.458 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 34.8 tp -61.58 -46.94 87.76 Favored 'General case' 0 C--O 1.225 -0.185 0 O-C-N 123.921 0.763 . . . . 65.31 109.146 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.404 ' HA ' HD12 ' A' ' 51' ' ' ILE . 74.6 mt -59.94 -37.97 74.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-O 121.11 0.481 . . . . 73.45 109.919 -179.349 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.81 -42.91 94.51 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.445 -0.784 . . . . 73.3 111.382 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -68.77 -32.08 71.58 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 114.341 1.237 . . . . 44.45 114.341 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.407 HG21 ' HB2' ' A' ' 59' ' ' LEU . 97.9 mt -60.51 -33.62 55.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 N-CA-C 109.021 -0.733 . . . . 71.45 109.021 178.219 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -64.77 -33.09 75.16 Favored 'General case' 0 C--O 1.204 -1.318 0 O-C-N 121.301 -0.874 . . . . 74.01 112.354 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -80.37 -35.98 34.61 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 107.96 -1.126 . . . . 72.41 107.96 -175.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -84.63 -47.61 10.33 Favored 'General case' 0 C--O 1.204 -1.313 0 CA-C-N 115.233 -0.894 . . . . 52.43 111.941 -173.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 65.1 mt -106.9 -1.93 21.84 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 118.577 0.626 . . . . 75.34 110.902 -171.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.71 24.34 74.07 Favored Glycine 0 CA--C 1.502 -0.769 0 CA-C-N 115.309 -0.86 . . . . 74.3 113.234 176.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.5 m -139.18 146.31 26.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 117.976 0.888 . . . . 75.52 112.044 -177.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -86.58 89.01 7.77 Favored 'General case' 0 C--O 1.251 1.133 0 CA-C-O 121.709 0.766 . . . . 52.4 109.049 176.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.407 ' HB2' HG21 ' A' ' 51' ' ' ILE . 1.4 tt -64.95 124.05 85.52 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-N 114.859 -1.064 . . . . 63.01 110.672 -174.011 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -62.75 132.76 38.83 Favored 'Trans proline' 0 C--O 1.218 -0.49 0 C-N-CA 120.889 1.06 . . . . 73.4 113.884 -178.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.2 tt -63.28 -21.64 28.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-O 121.727 0.775 . . . . 71.45 109.887 175.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -63.27 -33.47 75.58 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 118.708 -0.663 . . . . 74.34 111.826 174.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -73.73 -39.16 64.48 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-N 118.234 0.47 . . . . 63.23 111.166 177.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.77 -40.25 94.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.078 0.466 . . . . 72.23 112.041 176.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -75.25 -20.7 59.05 Favored 'General case' 0 C--O 1.214 -0.796 0 C-N-CA 119.376 -0.929 . . . . 75.04 110.637 178.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.4 t -73.91 -34.73 64.49 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.853 -1.165 . . . . 61.23 107.853 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.3 t -156.35 110.35 2.05 Favored Pre-proline 0 C--N 1.318 -0.765 0 N-CA-C 108.154 -1.054 . . . . 71.33 108.154 178.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -83.26 0.94 9.32 Favored 'Trans proline' 0 C--O 1.216 -0.575 0 N-CA-C 117.478 2.069 . . . . 72.43 117.478 -174.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 71.6 p -92.17 155.65 42.63 Favored Pre-proline 0 C--N 1.316 -0.855 0 CA-C-N 118.527 0.603 . . . . 70.01 109.739 -177.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.61 -32.29 24.61 Favored 'Trans proline' 0 C--O 1.248 0.997 0 C-N-CA 115.81 -2.327 . . . . 52.43 112.812 -174.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.86 -31.03 51.21 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-O 122.065 0.936 . . . . 63.52 109.054 177.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -71.42 -40.63 59.85 Favored Glycine 0 C--O 1.25 1.096 0 C-N-CA 120.879 -0.677 . . . . 63.44 113.938 -177.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.6 p -68.31 -31.08 49.96 Favored 'Isoleucine or valine' 0 C--O 1.25 1.107 0 N-CA-C 109.083 -0.71 . . . . 61.35 109.083 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.18 96.43 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.302 0.572 . . . . 55.52 110.537 176.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.3 mtp-105 -72.57 -35.95 68.08 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 121.172 -0.955 . . . . 75.45 111.478 177.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.3 -42.81 99.08 Favored 'General case' 0 C--N 1.333 -0.115 0 N-CA-C 112.865 0.691 . . . . 61.35 112.865 -178.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 pp -73.63 -32.8 64.24 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.01 -0.737 . . . . 74.52 109.01 -178.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.05 -34.51 78.25 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 117.978 0.354 . . . . 74.04 110.664 177.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.66 -25.8 68.38 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-O 120.888 0.375 . . . . 64.35 111.983 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -66.61 -28.87 68.84 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.988 -0.445 . . . . 71.01 110.435 -178.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.3 m -66.01 -30.52 71.07 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.172 0.434 . . . . 71.41 112.172 -177.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.8 -19.53 65.76 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.055 0.455 . . . . 54.25 111.589 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.2 t -105.58 16.37 25.54 Favored 'General case' 0 C--O 1.248 0.997 0 CA-C-N 116.199 -0.455 . . . . 60.53 109.93 -177.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -136.67 148.17 47.24 Favored 'General case' 0 C--O 1.207 -1.146 0 CA-C-O 121.014 0.435 . . . . 74.34 111.28 -174.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.9 p -75.51 135.5 40.63 Favored 'General case' 0 C--O 1.249 1.051 0 CA-C-N 116.133 -0.485 . . . . 72.13 110.126 177.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 50.8 m170 -78.34 151.86 78.3 Favored Pre-proline 0 N--CA 1.44 -0.962 0 N-CA-C 108.079 -1.082 . . . . 71.54 108.079 177.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -76.97 -6.81 17.02 Favored 'Trans proline' 0 CA--C 1.534 0.475 0 N-CA-C 114.285 0.84 . . . . 71.43 114.285 -175.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -135.89 143.95 45.29 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 104.571 -2.381 . . . . 71.43 104.571 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -73.5 151.61 40.97 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 108.993 -0.743 . . . . 55.43 108.993 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -71.98 -24.22 61.55 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.822 -0.627 . . . . 64.1 111.535 -176.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? . . . . . 0 C--O 1.241 0.628 0 N-CA-C 105.062 -2.199 . . . . 71.43 105.062 -177.74 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 CA-C-O 118.446 -1.197 . . . . 43.04 111.075 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.31 150.15 49.41 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.864 -1.162 . . . . 54.24 107.864 176.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.9 tpt -76.83 135.67 38.91 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.096 -0.705 . . . . 62.45 109.096 179.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.42 153.55 39.16 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.73 -0.47 . . . . 64.31 109.73 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.1 mmtm -66.24 146.06 55.05 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.228 -1.027 . . . . 65.35 108.228 174.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.49 150.37 95.63 Favored Pre-proline 0 CA--C 1.539 0.549 0 N-CA-C 105.736 -1.949 . . . . 65.12 105.736 174.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -65.53 137.19 49.54 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 116.911 -1.593 . . . . 71.11 112.676 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -79.16 154.12 29.53 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 115.56 1.689 . . . . 74.51 115.56 -171.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.3 t -102.35 152.67 20.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.221 -0.9 . . . . 72.42 109.776 174.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.52 -29.29 69.91 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.181 0.515 . . . . 44.51 111.155 177.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 m -56.5 -36.7 69.45 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 121.252 0.548 . . . . 53.31 111.232 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.423 ' HG2' ' HA ' ' A' ' 71' ' ' ALA . 80.7 mt-10 -59.18 -36.89 76.12 Favored 'General case' 0 C--O 1.192 -1.969 0 CA-C-N 115.896 -0.593 . . . . 64.52 112.019 -177.292 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.419 ' H ' ' HG2' ' A' ' 13' ' ' LYS . 34.1 mmtt -74.22 -31.74 62.73 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 112.421 0.526 . . . . 65.42 112.421 -170.47 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.5 t -68.26 -47.21 79.05 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 N-CA-C 107.118 -1.438 . . . . 64.25 107.118 174.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.6 mt -60.84 -38.52 85.8 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 112.341 0.497 . . . . 74.13 112.341 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.5 m -58.41 -46.03 87.25 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.258 -0.276 . . . . 73.51 111.323 175.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.65 -37.64 85.22 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.234 -0.917 . . . . 61.15 110.516 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mp -62.98 -35.94 81.86 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.644 -0.707 . . . . 72.42 109.878 178.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -61.05 -43.95 98.12 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 107.775 -1.195 . . . . 74.21 107.775 178.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.0 93.68 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 113.915 1.08 . . . . 53.13 113.915 -176.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -62.61 -35.57 79.98 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-O 121.868 0.842 . . . . 73.41 112.194 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.8 mm -86.97 -38.01 11.79 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 CA-C-N 115.052 -0.976 . . . . 72.43 112.975 -175.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.6 mt -88.36 -26.47 22.19 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 113.54 0.941 . . . . 71.15 113.54 -176.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.57 31.33 41.27 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.838 -0.696 . . . . 73.11 113.121 -178.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 m -106.48 151.87 8.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 109.215 -0.661 . . . . 73.33 109.215 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -70.8 -37.01 73.25 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.945 1.461 . . . . 72.1 114.945 -175.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.2 mtt-85 -135.79 155.87 49.68 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 115.672 -0.695 . . . . 74.24 109.621 -176.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.7 t -134.18 131.15 55.23 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.9 0 O-C-N 124.478 1.111 . . . . 71.44 109.443 178.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.506 ' H ' ' CG ' ' A' ' 32' ' ' ASP . . . -91.73 169.85 33.0 Favored Glycine 0 CA--C 1.528 0.86 0 N-CA-C 110.269 -1.132 . . . . 51.32 110.269 176.072 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -21.02 17.41 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.545 0 CA-C-O 121.772 0.796 . . . . 74.04 110.117 178.059 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -101.7 10.55 39.96 Favored 'General case' 0 C--O 1.206 -1.186 0 CA-C-N 114.207 -1.361 . . . . 72.41 112.584 -175.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.506 ' CG ' ' H ' ' A' ' 29' ' ' GLY . 2.7 m-20 -69.81 118.44 12.67 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.805 -0.56 . . . . 61.3 111.239 -170.247 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.03 115.09 21.7 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 108.019 -1.104 . . . . 64.15 108.019 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -48.74 -43.61 37.68 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 113.532 0.938 . . . . 71.32 113.532 -173.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -74.18 -20.74 60.1 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 114.144 1.165 . . . . 64.14 114.144 -177.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -78.14 -29.46 48.8 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.692 0.758 . . . . 74.32 109.044 -178.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.403 HD11 ' HB3' ' A' ' 32' ' ' ASP . 1.2 mt -81.35 18.56 1.11 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.289 -0.869 . . . . 70.21 110.993 177.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.78 7.48 81.26 Favored Glycine 0 CA--C 1.516 0.129 0 C-N-CA 121.363 -0.446 . . . . 50.22 113.013 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.98 145.38 47.89 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-O 121.925 0.736 . . . . 63.21 112.377 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.0 p -128.22 168.91 14.79 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.726 -0.842 . . . . 75.22 108.726 -178.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.2 p -61.41 -32.8 72.76 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.067 -0.346 . . . . 71.23 110.067 177.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.53 -43.41 85.26 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 120.848 0.356 . . . . 73.34 110.505 177.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.4 mt -68.51 -32.0 71.65 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 122.294 -0.254 . . . . 62.13 110.488 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.66 -34.12 75.17 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-O 121.517 0.675 . . . . 61.32 111.237 177.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 67.1 mtm -65.22 -35.54 81.38 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 120.705 -1.247 . . . . 60.34 110.723 175.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -74.13 -31.91 62.94 Favored 'General case' 0 C--O 1.207 -1.132 0 O-C-N 121.304 -0.873 . . . . 71.5 109.47 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.3 tp -63.37 -48.1 79.34 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 107.427 -1.323 . . . . 64.25 107.427 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.6 mt -60.17 -38.19 76.18 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.798 0 CA-C-N 115.622 -0.717 . . . . 50.05 109.688 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.81 -40.95 98.96 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 120.148 -0.621 . . . . 72.13 110.348 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.25 -39.12 92.24 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.151 0.426 . . . . 64.43 112.151 178.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.456 HD13 HD13 ' A' ' 59' ' ' LEU . 96.8 mt -59.03 -33.77 51.15 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.146 0 N-CA-C 113.195 0.813 . . . . 74.43 113.195 177.108 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -61.26 -32.28 72.09 Favored 'General case' 0 C--O 1.206 -1.186 0 O-C-N 120.456 -1.403 . . . . 74.2 111.481 -178.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -80.06 -33.98 38.52 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-O 123.264 1.507 . . . . 73.51 107.733 -171.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -96.29 -43.53 7.65 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 113.415 -1.72 . . . . 74.13 112.956 -169.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.6 mt -102.57 -9.26 20.3 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.009 -1.057 . . . . 74.42 110.515 -177.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.79 17.7 79.61 Favored Glycine 0 C--N 1.354 1.559 0 CA-C-N 114.953 -1.021 . . . . 61.52 115.515 176.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.9 m -144.15 153.46 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 117.469 0.635 . . . . 72.22 111.452 -177.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -86.03 103.4 14.68 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.222 -1.029 . . . . 74.42 108.222 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.456 HD13 HD13 ' A' ' 51' ' ' ILE . 1.3 tt -61.91 127.34 89.0 Favored Pre-proline 0 C--N 1.324 -0.543 0 C-N-CA 120.23 -0.588 . . . . 64.44 109.595 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -64.19 128.89 22.7 Favored 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 118.479 -0.547 . . . . 74.44 110.874 176.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.0 tt -59.58 -23.53 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 CA-C-O 121.768 0.794 . . . . 70.24 110.15 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -58.65 -31.75 68.43 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.425 -0.807 . . . . 61.3 112.126 175.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -75.02 -39.75 60.94 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.167 -1.049 . . . . 65.21 108.167 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.96 -37.98 89.44 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-O 121.023 0.44 . . . . 74.21 110.893 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -71.25 -28.63 64.31 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.378 -0.529 . . . . 75.3 111.2 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.0 t -78.59 -28.47 45.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.128 0.49 . . . . 72.43 110.791 178.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.0 m -152.26 99.66 2.85 Favored Pre-proline 0 C--N 1.328 -0.353 0 N-CA-C 108.497 -0.927 . . . . 53.21 108.497 -177.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -79.98 8.9 3.8 Favored 'Trans proline' 0 C--N 1.345 0.359 0 N-CA-C 115.688 1.38 . . . . 74.45 115.688 -176.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 71.8 p -105.1 151.81 39.58 Favored Pre-proline 0 CA--C 1.511 -0.535 0 CA-C-N 118.126 0.421 . . . . 72.32 110.925 -178.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -67.9 -32.82 28.13 Favored 'Trans proline' 0 C--O 1.248 0.996 0 C-N-CA 116.652 -1.765 . . . . 73.23 113.139 -176.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.423 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . . . -78.61 -31.46 47.05 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 118.71 -1.196 . . . . 65.33 110.783 177.274 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -71.22 -42.93 56.89 Favored Glycine 0 CA--C 1.496 -1.096 0 C-N-CA 118.843 -1.646 . . . . 51.32 111.064 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.8 p -65.09 -36.04 76.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 C-N-CA 120.336 -0.546 . . . . 51.13 110.15 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.8 97.64 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 123.006 0.523 . . . . 70.31 110.719 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.1 mtp85 -75.42 -34.61 61.03 Favored 'General case' 0 C--N 1.315 -0.902 0 O-C-N 122.075 -0.391 . . . . 62.54 110.796 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.26 -49.25 70.3 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 111.745 0.276 . . . . 65.41 111.745 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 pp -65.25 -33.68 76.55 Favored 'General case' 0 CA--C 1.507 -0.696 0 C-N-CA 120.825 -0.35 . . . . 72.05 111.898 177.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.95 -42.75 99.91 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.245 0.545 . . . . 51.22 109.631 177.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.13 -40.98 77.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.928 -0.482 . . . . 74.22 110.178 178.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.29 -35.55 81.23 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.278 0.473 . . . . 60.52 112.278 -178.016 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.1 p -83.95 -8.87 59.06 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.684 0.278 . . . . 64.44 111.707 -178.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.6 104.47 13.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.891 0.377 . . . . 72.24 110.245 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.4 m -66.78 -8.95 32.07 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 121.214 0.531 . . . . 73.34 112.319 176.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 85.5 m95 -82.34 -12.26 58.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.245 -0.434 . . . . 72.12 111.879 177.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 75.7 p -119.77 -45.11 2.5 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.658 0.266 . . . . 75.11 111.02 178.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -93.32 151.83 40.63 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 110.306 -0.257 . . . . 75.32 110.306 175.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -67.22 162.92 36.38 Favored 'Trans proline' 0 C--O 1.238 0.521 0 C-N-CA 117.123 -1.451 . . . . 73.3 110.43 174.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -54.7 128.18 31.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.931 0.872 . . . . 73.23 110.707 -177.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -104.76 155.28 19.03 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.317 -1.31 . . . . 71.34 109.385 -175.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -145.84 -33.84 0.33 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.831 -0.622 . . . . 72.04 110.164 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm . . . . . 0 C--O 1.247 0.932 0 N-CA-C 107.222 -1.399 . . . . 65.23 107.222 177.652 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.116 0 CA-C-O 118.147 -1.363 . . . . 72.4 110.302 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.31 153.2 43.3 Favored 'General case' 0 C--O 1.242 0.692 0 N-CA-C 107.322 -1.362 . . . . 75.24 107.322 176.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -76.21 160.47 29.66 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-O 120.691 0.282 . . . . 75.43 110.822 -177.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.25 153.95 40.4 Favored 'General case' 0 C--O 1.245 0.864 0 N-CA-C 109.218 -0.66 . . . . 73.35 109.218 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -88.03 155.17 19.95 Favored 'General case' 0 N--CA 1.435 -1.218 0 N-CA-C 106.78 -1.563 . . . . 73.42 106.78 176.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.3 150.1 80.91 Favored Pre-proline 0 C--N 1.313 -0.982 0 N-CA-C 108.223 -1.029 . . . . 75.05 108.223 177.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -71.74 149.08 53.87 Favored 'Trans proline' 0 CA--C 1.515 -0.447 0 C-N-CA 115.301 -2.666 . . . . 62.41 114.088 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -102.69 146.19 28.57 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 108.174 -1.047 . . . . 63.43 108.174 178.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.9 p -81.23 161.2 24.06 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.281 -1.007 . . . . 75.31 108.281 172.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.31 -34.44 75.24 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 109.249 -0.648 . . . . 65.52 109.249 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m -59.57 -41.76 90.91 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-N 115.537 -0.756 . . . . 75.32 112.381 -179.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -60.09 -40.27 89.0 Favored 'General case' 0 CA--C 1.492 -1.262 0 CA-C-N 116.297 -0.41 . . . . 62.21 110.391 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -66.3 -39.62 89.47 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 120.179 -0.608 . . . . 72.01 111.277 -175.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.2 t -67.65 -52.75 37.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-O 121.495 0.664 . . . . 73.31 110.898 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 pp -72.58 -26.21 61.63 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 119.318 -0.953 . . . . 72.54 112.483 -175.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.7 t -67.12 -41.57 85.95 Favored 'General case' 0 C--O 1.194 -1.867 0 N-CA-C 109.83 -0.433 . . . . 74.43 109.83 175.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.57 84.11 Favored 'General case' 0 C--O 1.25 1.088 0 N-CA-C 108.269 -1.012 . . . . 62.21 108.269 178.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tp -68.54 -29.36 67.92 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.359 -0.837 . . . . 73.53 111.407 -178.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -60.75 -44.2 97.01 Favored 'General case' 0 C--O 1.211 -0.956 0 N-CA-C 107.377 -1.342 . . . . 72.23 107.377 175.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.09 91.38 Favored 'General case' 0 N--CA 1.427 -1.585 0 N-CA-C 112.352 0.501 . . . . 74.23 112.352 -175.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -78.73 -28.29 44.94 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 114.455 1.28 . . . . 73.41 114.455 -177.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.4 mm -82.26 -33.09 11.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 CA-C-O 121.458 0.646 . . . . 74.14 111.362 -178.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.2 mt -89.08 -26.37 21.41 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 115.335 -0.848 . . . . 72.51 109.774 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.13 28.58 58.12 Favored Glycine 0 C--O 1.24 0.482 0 CA-C-O 119.642 -0.532 . . . . 73.14 113.268 179.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.2 m -101.04 158.55 4.06 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.501 0 N-CA-C 112.768 0.655 . . . . 74.01 112.768 -176.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.6 -36.66 84.39 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.948 0.88 . . . . 64.53 112.495 -175.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -146.56 157.42 43.73 Favored 'General case' 0 C--O 1.255 1.391 0 C-N-CA 123.734 0.813 . . . . 71.34 109.19 -176.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 p -147.64 137.54 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.31 0 N-CA-C 103.621 -2.733 . . . . 54.02 103.621 171.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.596 ' H ' ' HB2' ' A' ' 32' ' ' ASP . . . -104.19 169.02 17.15 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 108.124 -1.99 . . . . 70.21 108.124 178.049 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.451 ' HA ' ' HG2' ' A' ' 70' ' ' PRO . 0.1 OUTLIER -67.84 -21.48 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 CA-C-N 117.552 0.676 . . . . 74.2 110.131 178.7 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -105.64 12.31 31.27 Favored 'General case' 0 C--O 1.196 -1.754 0 CA-C-O 121.912 0.863 . . . . 73.11 111.441 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.596 ' HB2' ' H ' ' A' ' 29' ' ' GLY . 3.4 t0 -88.2 139.07 30.88 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.859 -1.151 . . . . 65.15 112.484 -173.304 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.79 134.18 34.32 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 120.452 -1.405 . . . . 71.33 110.311 -173.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -55.02 -33.97 63.1 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-N 116.07 -0.513 . . . . 75.04 111.052 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -85.99 -16.22 39.0 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 114.903 1.445 . . . . 62.22 114.903 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -76.57 -34.92 58.45 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 106.066 -1.827 . . . . 70.44 106.066 178.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.8 mt -78.09 15.45 0.91 Allowed 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 113.926 -1.488 . . . . 74.24 113.104 178.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.82 22.3 66.68 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 115.164 0.825 . . . . 63.41 115.164 176.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.87 157.25 42.66 Favored Glycine 0 C--O 1.212 -1.24 0 N-CA-C 116.721 1.448 . . . . 22.31 116.721 -178.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.9 m -132.07 160.97 34.38 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 122.97 0.508 . . . . 72.24 111.618 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.5 p -60.91 -35.09 75.78 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 121.87 -0.518 . . . . 74.01 112.322 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.73 -39.46 93.67 Favored 'General case' 0 C--O 1.244 0.782 0 O-C-N 123.256 0.348 . . . . 62.23 110.535 177.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.9 mt -73.28 -27.66 61.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.858 -0.61 . . . . 63.4 110.24 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.99 97.71 Favored 'General case' 0 C--O 1.194 -1.831 0 O-C-N 121.224 -0.922 . . . . 53.33 109.909 176.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 15.1 mmt -65.8 -34.38 78.03 Favored 'General case' 0 C--O 1.19 -2.039 0 O-C-N 121.71 -0.619 . . . . 71.44 110.635 177.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -40.64 77.97 Favored 'General case' 0 C--O 1.27 2.168 0 N-CA-C 112.838 0.681 . . . . 63.45 112.838 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 36.9 tp -60.82 -49.0 79.24 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.813 0.845 . . . . 71.32 109.487 173.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 67.7 mt -59.02 -41.35 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-O 121.319 0.58 . . . . 41.12 109.793 -179.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.55 -37.03 85.54 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.59 -0.694 . . . . 63.51 112.558 178.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.9 tpt85 -68.96 -35.02 76.27 Favored 'General case' 0 C--O 1.183 -2.437 0 CA-C-O 120.861 0.362 . . . . 74.32 110.225 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.8 mt -62.08 -27.64 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.403 -2.784 0 CA-C-O 121.753 0.787 . . . . 74.22 109.645 -176.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -68.54 -30.63 69.47 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.848 -0.615 . . . . 74.1 111.421 179.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -79.05 -34.45 43.75 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.043 -1.095 . . . . 61.41 108.043 -178.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -82.69 -48.96 10.29 Favored 'General case' 0 C--O 1.208 -1.112 0 N-CA-C 114.515 1.302 . . . . 75.41 114.515 -176.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.3 mt -110.59 -4.79 15.27 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.711 0.634 . . . . 53.41 112.711 -170.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.93 25.7 73.2 Favored Glycine 0 CA--C 1.502 -0.755 0 CA-C-N 114.901 -1.045 . . . . 71.25 113.503 178.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.4 m -140.51 156.39 23.62 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.354 0 O-C-N 121.783 -0.834 . . . . 73.14 109.306 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -92.54 111.38 22.95 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 109.454 -0.573 . . . . 60.42 109.454 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.1 tp -65.95 120.28 67.95 Favored Pre-proline 0 CA--C 1.543 0.711 0 N-CA-C 109.489 -0.56 . . . . 75.32 109.489 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.79 124.09 13.05 Favored 'Trans proline' 0 CA--C 1.518 -0.304 0 N-CA-C 110.583 -0.583 . . . . 64.34 110.583 176.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.9 tt -60.85 -23.18 28.58 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.95 0 CA-C-O 121.405 0.621 . . . . 71.32 111.509 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -35.73 81.83 Favored 'General case' 0 C--O 1.198 -1.607 0 O-C-N 121.445 -0.784 . . . . 71.53 111.203 177.428 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -70.07 -39.43 75.65 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 121.474 0.654 . . . . 74.03 109.598 179.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.2 tp -63.43 -41.99 98.68 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.604 -0.726 . . . . 72.2 111.568 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -71.22 -30.07 65.91 Favored 'General case' 0 C--O 1.202 -1.426 0 C-N-CA 119.846 -0.742 . . . . 74.21 110.79 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.3 t -74.83 -25.53 59.07 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 122.147 -0.346 . . . . 74.05 110.793 -177.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.1 m -152.32 92.24 3.51 Favored Pre-proline 0 C--N 1.31 -1.112 0 N-CA-C 106.976 -1.49 . . . . 73.34 106.976 -178.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -76.94 3.97 6.14 Favored 'Trans proline' 0 C--O 1.216 -0.581 0 N-CA-C 115.829 1.434 . . . . 71.04 115.829 -178.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.9 p -93.92 150.11 38.04 Favored Pre-proline 0 C--O 1.242 0.691 0 N-CA-C 108.394 -0.965 . . . . 61.13 108.394 178.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.451 ' HG2' ' HA ' ' A' ' 30' ' ' VAL . 63.4 Cg_endo -65.83 -34.78 38.58 Favored 'Trans proline' 0 C--O 1.248 1.023 0 C-N-CA 116.795 -1.67 . . . . 73.01 113.577 -175.564 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.39 -26.26 59.99 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.959 0.885 . . . . 71.21 110.93 178.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -75.03 -47.99 12.25 Favored Glycine 0 N--CA 1.438 -1.2 0 CA-C-O 118.713 -1.048 . . . . 73.52 112.32 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.6 p -66.18 -32.66 59.11 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.574 0 CA-C-N 117.945 0.872 . . . . 73.42 110.271 -178.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.69 -48.42 79.35 Favored 'General case' 0 C--O 1.204 -1.296 0 N-CA-C 113.837 1.051 . . . . 53.21 113.837 176.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.9 ptp180 -73.08 -31.3 64.29 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 119.651 -0.82 . . . . 62.44 109.778 -177.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.89 -46.08 89.52 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 112.662 0.616 . . . . 71.33 112.662 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 pp -75.04 -31.19 61.24 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.045 -0.525 . . . . 72.24 110.045 179.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.05 -27.59 67.52 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 111.65 0.241 . . . . 23.23 111.65 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.7 -24.37 67.62 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-O 120.957 0.408 . . . . 75.04 111.882 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.9 pttp -70.85 -9.95 58.61 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 112.347 0.499 . . . . 72.54 112.347 -177.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.5 m -81.07 -9.23 59.85 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 111.631 0.234 . . . . 72.54 111.631 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.57 147.03 53.84 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 120.496 0.188 . . . . 62.01 111.043 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 65.4 p -70.71 -12.72 61.73 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.503 0.668 . . . . 74.01 112.419 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 48.5 p90 -110.51 17.53 20.67 Favored 'General case' 0 CA--C 1.509 -0.606 0 O-C-N 121.994 -0.441 . . . . 62.31 111.403 177.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.8 t -68.53 148.89 49.91 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.753 -0.462 . . . . 74.24 109.753 177.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 32.8 p80 -63.99 154.65 81.12 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 107.215 -1.402 . . . . 54.03 107.215 173.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -69.38 149.26 69.07 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 117.731 -1.046 . . . . 73.11 111.039 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -75.75 118.57 18.71 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 107.206 -1.405 . . . . 74.02 107.206 175.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -78.12 124.05 27.6 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 106.723 -1.584 . . . . 45.42 106.723 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -124.19 163.28 21.89 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 113.033 0.753 . . . . 75.12 113.033 -172.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? . . . . . 0 CA--C 1.508 -0.658 0 N-CA-C 102.758 -3.053 . . . . 71.03 102.758 177.116 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.78 0 CA-C-O 118.099 -1.389 . . . . 55.1 110.977 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.71 149.96 46.42 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 106.489 -1.671 . . . . 64.42 106.489 175.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.0 ptp -73.95 152.61 40.06 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 110.026 -0.361 . . . . 51.33 110.026 -177.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.36 152.51 45.57 Favored 'General case' 0 C--O 1.255 1.39 0 N-CA-C 108.38 -0.97 . . . . 72.42 108.38 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 42.2 tttm -63.67 130.38 44.02 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 107.528 -1.286 . . . . 74.4 107.528 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.17 141.13 93.66 Favored Pre-proline 0 C--O 1.263 1.788 0 O-C-N 123.578 0.549 . . . . 70.54 111.621 -177.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -78.09 178.95 6.98 Favored 'Trans proline' 0 C--O 1.274 2.297 0 CA-C-O 123.455 1.356 . . . . 61.05 110.323 177.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -80.25 163.33 24.08 Favored 'General case' 0 C--N 1.309 -1.154 0 O-C-N 120.733 -1.229 . . . . 64.11 108.476 -176.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.7 t -156.54 175.96 13.34 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.118 -0.492 . . . . 75.01 110.755 177.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.51 -40.34 86.78 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 115.747 1.758 . . . . 74.52 115.747 -169.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.5 m -73.89 -40.33 63.27 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 122.596 1.189 . . . . 71.25 111.903 -174.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.2 mp0 -62.29 -39.66 93.7 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 114.685 -1.143 . . . . 64.24 112.154 -174.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -66.88 -32.29 73.46 Favored 'General case' 0 C--O 1.21 -0.992 0 N-CA-C 113.252 0.834 . . . . 74.14 113.252 -178.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.2 t -69.8 -42.94 80.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 107.03 -1.47 . . . . 74.21 107.03 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.6 mt -64.37 -39.35 93.71 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.446 -0.797 . . . . 51.32 111.636 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 47.5 m -62.09 -44.98 95.48 Favored 'General case' 0 C--O 1.209 -1.054 0 N-CA-C 111.796 0.295 . . . . 65.43 111.796 175.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.23 96.82 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 120.905 -1.122 . . . . 72.01 109.639 -178.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mp -65.45 -32.38 73.97 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-O 120.992 0.425 . . . . 71.11 111.12 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -63.52 -45.39 90.83 Favored 'General case' 0 C--O 1.203 -1.387 0 N-CA-C 108.348 -0.982 . . . . 73.13 108.348 174.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.52 -41.29 97.1 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 121.403 0.621 . . . . 62.52 112.66 -177.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.87 -42.21 97.59 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 123.131 0.572 . . . . 73.32 111.852 -177.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.8 mt -88.21 -35.74 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 120.531 -0.468 . . . . 44.22 111.917 -172.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.0 mt -83.97 -20.66 32.47 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 123.7 0.625 . . . . 71.11 110.337 -177.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.19 31.31 52.75 Favored Glycine 0 CA--C 1.498 -0.978 0 CA-C-O 119.283 -0.732 . . . . 71.23 113.929 176.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -110.43 153.46 12.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 CA-C-O 120.943 0.402 . . . . 65.4 110.308 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -71.38 -31.76 67.69 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 114.388 1.255 . . . . 65.04 114.388 -174.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -140.4 154.46 46.71 Favored 'General case' 0 CA--C 1.5 -0.978 0 N-CA-C 109.664 -0.495 . . . . 71.11 109.664 -177.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 56.4 t -134.01 126.36 50.05 Favored 'Isoleucine or valine' 0 C--O 1.245 0.839 0 O-C-N 124.865 1.353 . . . . 54.44 109.845 176.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.5 158.74 34.32 Favored Glycine 0 C--N 1.336 0.576 0 N-CA-C 110.499 -1.04 . . . . 75.24 110.499 174.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.4 m -65.68 -14.14 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 O-C-N 121.234 -1.156 . . . . 64.21 111.982 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -119.11 15.15 13.22 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 116.531 -0.304 . . . . 74.31 111.436 -175.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -74.01 126.72 31.11 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 119.516 -0.874 . . . . 63.13 110.54 -176.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.65 128.13 33.05 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 108.449 -0.945 . . . . 62.52 108.449 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -52.13 -38.86 58.86 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.776 -0.647 . . . . 73.51 112.429 -176.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -78.48 -15.94 58.07 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 115.85 1.796 . . . . 75.04 115.85 -178.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -79.8 -31.76 40.72 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 107.021 -1.474 . . . . 63.14 107.021 -179.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 mp -84.62 21.14 1.57 Allowed 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 113.903 -1.498 . . . . 74.43 111.122 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.59 4.08 73.71 Favored Glycine 0 N--CA 1.459 0.17 0 N-CA-C 115.211 0.844 . . . . 75.15 115.211 178.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.22 157.0 53.52 Favored Glycine 0 C--O 1.251 1.171 0 CA-C-O 122.962 1.312 . . . . 45.45 115.085 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 75.9 p -142.76 174.86 10.28 Favored 'General case' 0 C--O 1.213 -0.832 0 N-CA-C 108.281 -1.007 . . . . 63.55 108.281 -176.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.7 p -65.24 -29.06 69.82 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 122.208 -0.307 . . . . 64.52 111.316 174.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.7 -40.27 69.62 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-O 121.12 0.486 . . . . 62.44 109.728 177.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.7 mt -74.91 -24.53 58.53 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 121.633 -0.667 . . . . 72.22 110.133 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.77 -30.88 71.91 Favored 'General case' 0 C--O 1.202 -1.399 0 O-C-N 121.341 -0.849 . . . . 72.32 109.683 175.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 60.5 mtt -68.6 -33.97 74.98 Favored 'General case' 0 C--O 1.219 -0.503 0 O-C-N 121.18 -0.95 . . . . 64.14 110.081 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -70.72 -40.9 72.54 Favored 'General case' 0 C--O 1.241 0.658 0 N-CA-C 108.356 -0.979 . . . . 73.33 108.356 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.4 tp -60.45 -50.09 74.96 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 124.101 0.875 . . . . 63.12 110.465 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.8 mt -60.96 -40.49 85.64 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.804 0 N-CA-C 109.709 -0.478 . . . . 71.11 109.709 -177.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.5 -41.18 96.59 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 122.357 -0.214 . . . . 73.54 111.224 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -66.59 -33.13 74.99 Favored 'General case' 0 C--O 1.189 -2.108 0 CA-C-O 121.444 0.64 . . . . 72.21 111.4 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.6 mt -65.23 -26.27 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.4 -2.965 0 CA-C-N 115.861 -0.609 . . . . 75.01 109.785 -175.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -67.71 -32.78 73.66 Favored 'General case' 0 C--O 1.205 -1.278 0 C-N-CA 119.87 -0.732 . . . . 73.32 111.387 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -74.13 -40.54 62.57 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 107.408 -1.331 . . . . 73.21 107.408 -176.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -83.37 -46.64 12.33 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 115.412 1.634 . . . . 51.45 115.412 -173.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.3 mt -105.57 -8.21 18.13 Favored 'General case' 0 CA--C 1.504 -0.803 0 O-C-N 121.404 -0.81 . . . . 63.13 111.415 -173.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.74 27.21 73.53 Favored Glycine 0 C--O 1.246 0.849 0 CA-C-O 118.349 -1.251 . . . . 73.2 112.609 178.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 33.6 m -141.02 157.25 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 CA-C-N 118.553 1.177 . . . . 43.14 111.719 -178.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -86.45 101.72 13.41 Favored 'General case' 0 C--O 1.218 -0.558 0 C-N-CA 123.735 0.814 . . . . 70.33 111.018 177.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -62.46 117.6 32.55 Favored Pre-proline 0 C--O 1.239 0.545 0 C-N-CA 120.726 -0.39 . . . . 74.44 110.463 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -65.67 117.53 4.7 Favored 'Trans proline' 0 C--N 1.35 0.616 0 N-CA-C 113.672 0.605 . . . . 71.2 113.672 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 17.8 tt -59.38 -26.84 35.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-O 121.598 0.713 . . . . 71.53 112.522 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -67.39 -33.72 75.78 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 121.513 -0.742 . . . . 74.44 111.07 176.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -39.03 63.57 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 108.458 -0.941 . . . . 54.04 108.458 177.337 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 27.2 tp -60.04 -44.2 94.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.847 -0.615 . . . . 72.22 110.756 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.1 m-30 -73.25 -26.68 61.21 Favored 'General case' 0 C--N 1.319 -0.725 0 O-C-N 121.684 -0.635 . . . . 72.32 111.793 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.6 m -74.98 -25.99 59.25 Favored 'General case' 0 N--CA 1.48 1.075 0 O-C-N 122.032 -0.418 . . . . 73.23 111.058 177.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.4 p -153.46 88.53 3.68 Favored Pre-proline 0 CA--C 1.547 0.854 0 N-CA-C 107.995 -1.113 . . . . 63.55 107.995 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -81.3 35.41 0.58 Allowed 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.604 2.203 . . . . 74.53 114.161 -174.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.4 p -120.39 153.76 56.2 Favored Pre-proline 0 N--CA 1.447 -0.588 0 N-CA-C 106.299 -1.741 . . . . 75.52 106.299 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.82 -38.3 10.31 Favored 'Trans proline' 0 C--O 1.213 -0.73 0 C-N-CA 115.86 -2.293 . . . . 60.43 113.829 -172.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.19 -21.42 42.99 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 120.88 -1.138 . . . . 62.11 111.45 177.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.69 -46.94 28.77 Favored Glycine 0 C--O 1.223 -0.545 0 C-N-CA 121.271 -0.49 . . . . 72.41 111.887 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.4 p -64.56 -36.26 76.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.193 -0.669 . . . . 72.15 109.193 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.53 -49.53 77.41 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 121.694 0.759 . . . . 54.43 111.851 179.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.3 mtt85 -69.42 -36.63 76.89 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 121.381 -0.824 . . . . 44.34 110.298 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.06 -33.6 75.86 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 113.0 0.741 . . . . 72.01 113.0 -176.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.0 pp -83.29 -37.78 23.02 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 123.529 0.518 . . . . 75.23 111.916 178.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.32 -35.0 74.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.117 0.484 . . . . 52.24 110.793 -178.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.75 -28.42 68.4 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 116.177 -0.465 . . . . 71.0 111.569 178.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -96.09 -13.36 23.71 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.518 0.933 . . . . 73.4 113.518 -175.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.9 p -99.14 -0.14 42.25 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 108.148 -1.056 . . . . 61.55 108.148 176.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.11 160.28 32.24 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.881 -0.785 . . . . 75.11 108.881 178.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.9 m -70.88 -13.43 62.03 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.543 0.572 . . . . 61.13 112.543 177.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -76.01 147.08 39.04 Favored 'General case' 0 C--O 1.208 -1.095 0 C-N-CA 122.769 0.427 . . . . 75.22 110.34 179.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.7 m -116.18 148.75 40.06 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-N 114.811 -1.086 . . . . 60.32 108.877 176.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -87.62 148.82 44.91 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 115.533 -0.758 . . . . 75.52 109.733 176.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -72.76 152.03 52.36 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 117.004 -1.531 . . . . 55.42 110.808 176.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -142.4 137.11 30.19 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 108.398 -0.964 . . . . 75.4 108.398 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -81.31 122.34 27.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.819 -0.628 . . . . 72.34 109.956 -178.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -75.96 134.53 40.17 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 107.657 -1.238 . . . . 53.41 107.657 176.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? . . . . . 0 C--O 1.253 1.269 0 CA-C-O 116.155 -1.879 . . . . 75.4 110.114 -177.587 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.518 4.163 0 CA-C-O 117.217 -1.88 . . . . 53.1 111.671 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.26 152.84 51.17 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 106.606 -1.627 . . . . 63.12 106.606 177.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -62.68 155.84 25.23 Favored 'General case' 0 C--O 1.208 -1.112 0 C-N-CA 124.652 1.181 . . . . 72.32 112.144 175.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.61 137.21 44.14 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-N 114.249 -1.341 . . . . 44.4 114.198 -175.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -72.79 133.0 44.31 Favored 'General case' 0 C--O 1.189 -2.1 0 N-CA-C 113.326 0.861 . . . . 71.22 113.326 175.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.23 152.57 87.99 Favored Pre-proline 0 C--N 1.308 -1.217 0 N-CA-C 107.024 -1.472 . . . . 41.14 107.024 176.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.5 141.79 35.45 Favored 'Trans proline' 0 C--O 1.204 -1.176 0 C-N-CA 117.333 -1.311 . . . . 71.2 110.122 -175.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -78.57 144.31 35.67 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.571 -0.706 . . . . 72.42 111.019 -179.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.3 m -83.53 159.86 21.59 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.241 0.543 . . . . 74.23 111.759 176.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.73 -38.39 78.27 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 113.167 0.802 . . . . 72.54 113.167 -173.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.45 -43.51 32.17 Favored 'General case' 0 C--O 1.217 -0.609 0 C-N-CA 123.479 0.712 . . . . 64.12 109.276 178.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -54.17 -46.94 72.47 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 112.97 0.73 . . . . 73.4 112.97 -176.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -68.8 -24.96 64.46 Favored 'General case' 0 C--O 1.27 2.154 0 N-CA-C 113.169 0.803 . . . . 74.44 113.169 -173.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.7 t -76.72 -49.17 24.47 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 N-CA-C 107.197 -1.408 . . . . 62.02 107.197 177.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.3 mt -58.15 -42.88 86.86 Favored 'General case' 0 C--O 1.214 -0.794 0 N-CA-C 108.4 -0.963 . . . . 72.52 108.4 -175.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -47.16 86.77 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.558 0.694 . . . . 75.2 112.637 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.91 -43.5 79.11 Favored 'General case' 0 C--O 1.201 -1.453 0 N-CA-C 108.11 -1.07 . . . . 73.11 108.11 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.36 -31.87 73.14 Favored 'General case' 0 CA--C 1.564 1.501 0 O-C-N 121.071 -1.018 . . . . 62.44 110.8 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -60.36 -45.53 93.14 Favored 'General case' 0 C--O 1.201 -1.495 0 N-CA-C 104.905 -2.257 . . . . 64.54 104.905 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.81 -47.22 85.54 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-O 119.208 -0.425 . . . . 64.32 111.256 -178.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -62.83 -35.11 78.86 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 123.347 1.546 . . . . 64.33 113.731 -174.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.9 mm -88.01 -40.14 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.053 0 CA-C-N 114.157 -1.383 . . . . 73.31 111.445 -175.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.0 mt -81.76 -24.35 36.09 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 124.605 1.191 . . . . 64.35 110.183 -178.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.49 29.04 60.44 Favored Glycine 0 C--O 1.217 -0.951 0 C-N-CA 120.205 -0.998 . . . . 73.3 112.543 176.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.9 m -101.19 154.98 4.62 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.156 0 CA-C-O 122.015 0.912 . . . . 75.35 111.044 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -68.52 -32.15 71.9 Favored 'General case' 0 N--CA 1.512 2.627 0 N-CA-C 113.05 0.759 . . . . 61.34 113.05 -172.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -150.38 156.79 42.16 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 109.014 -0.736 . . . . 72.31 109.014 -175.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.9 t -140.0 126.28 22.25 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.203 0 O-C-N 125.516 1.76 . . . . 34.33 111.887 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.49 164.89 30.8 Favored Glycine 0 CA--C 1.537 1.413 0 N-CA-C 108.127 -1.989 . . . . 71.42 108.127 178.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.7 m -62.01 -25.21 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 O-C-N 121.947 -0.737 . . . . 51.34 111.705 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -110.42 18.93 19.31 Favored 'General case' 0 C--O 1.197 -1.674 0 N-CA-C 114.843 1.423 . . . . 74.44 114.843 -178.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.52 134.33 35.2 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 119.399 -0.92 . . . . 72.44 108.999 -177.34 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.71 127.88 33.84 Favored 'General case' 0 CA--C 1.554 1.108 0 O-C-N 121.194 -0.941 . . . . 62.31 112.009 -176.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -53.53 -45.26 69.73 Favored 'General case' 0 C--N 1.311 -1.069 0 O-C-N 120.519 -1.363 . . . . 53.31 112.755 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -73.74 -22.6 59.83 Favored 'General case' 0 C--O 1.208 -1.088 0 N-CA-C 112.667 0.617 . . . . 60.21 112.667 -177.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -75.85 -28.63 58.3 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 123.779 1.752 . . . . 72.2 108.362 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 mp -87.77 12.6 12.49 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 113.501 -1.681 . . . . 72.15 112.712 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.4 26.31 16.09 Favored Glycine 0 N--CA 1.48 1.569 0 CA-C-O 123.516 1.62 . . . . 72.14 113.722 178.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -77.18 167.9 54.42 Favored Glycine 0 C--O 1.246 0.875 0 O-C-N 120.626 -1.514 . . . . 65.31 114.758 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.0 t -152.22 162.57 40.95 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 112.68 -1.76 . . . . 44.22 109.159 177.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.74 -29.5 64.59 Favored 'General case' 0 C--O 1.251 1.154 0 N-CA-C 112.804 0.668 . . . . 61.41 112.804 176.277 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.29 -40.32 81.81 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 122.477 1.132 . . . . 74.31 109.542 172.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.1 tp -71.28 -31.57 67.63 Favored 'General case' 0 C--N 1.31 -1.136 0 O-C-N 121.619 -0.676 . . . . 75.11 111.196 -177.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.0 -25.06 63.32 Favored 'General case' 0 CA--C 1.559 1.307 0 N-CA-C 113.005 0.743 . . . . 64.15 113.005 176.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 65.7 mtt -64.68 -33.83 76.88 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 122.784 1.278 . . . . 71.31 108.439 -178.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -71.11 -39.06 72.29 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-N 114.302 -1.317 . . . . 73.35 110.262 -178.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 32.8 tp -61.6 -48.72 79.66 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-N 115.363 -0.835 . . . . 71.32 109.113 175.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.2 mt -58.36 -37.8 65.68 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.866 0 N-CA-C 113.396 0.888 . . . . 53.41 113.396 177.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.78 -38.02 79.73 Favored 'General case' 0 C--O 1.211 -0.951 0 C-N-CA 120.412 -0.515 . . . . 70.24 110.653 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -70.68 -33.76 71.26 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 121.15 -0.22 . . . . 73.23 110.964 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 55.5 mt -60.69 -29.56 45.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 O-C-N 124.003 0.815 . . . . 75.32 113.151 174.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.3 mtt180 -64.78 -29.89 70.88 Favored 'General case' 0 C--O 1.204 -1.333 0 C-N-CA 118.84 -1.144 . . . . 73.41 111.983 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -79.64 -35.06 39.9 Favored 'General case' 0 C--O 1.196 -1.733 0 N-CA-C 108.055 -1.091 . . . . 71.42 108.055 -178.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -87.42 -44.54 11.27 Favored 'General case' 0 C--O 1.204 -1.295 0 N-CA-C 117.066 2.247 . . . . 63.34 117.066 -174.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.5 mt -107.77 -4.27 18.28 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 108.731 -0.84 . . . . 54.23 108.731 -174.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.56 28.86 73.59 Favored Glycine 0 C--N 1.295 -1.724 0 CA-C-N 113.242 -1.799 . . . . 72.41 115.968 175.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.6 m -149.98 159.0 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 N-CA-C 108.095 -1.076 . . . . 63.13 108.095 -178.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -83.05 115.0 21.67 Favored 'General case' 0 C--N 1.308 -1.204 0 O-C-N 123.552 0.532 . . . . 73.25 110.129 169.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -64.0 124.84 86.5 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 113.489 0.922 . . . . 75.15 113.489 -178.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -66.94 123.8 11.44 Favored 'Trans proline' 0 N--CA 1.484 0.966 0 C-N-CA 115.253 -2.698 . . . . 73.24 113.245 177.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.9 tt -64.55 -19.79 25.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 113.0 0.741 . . . . 52.33 113.0 -175.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -65.55 -41.69 92.7 Favored 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 120.353 -0.539 . . . . 70.51 109.982 178.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -67.19 -41.95 85.0 Favored 'General case' 0 CA--C 1.494 -1.203 0 CA-C-O 122.528 1.156 . . . . 64.13 110.598 -178.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.53 -50.26 74.24 Favored 'General case' 0 C--O 1.211 -0.973 0 CA-C-N 114.327 -1.306 . . . . 73.15 109.602 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -68.71 -34.43 75.63 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 119.91 -1.744 . . . . 64.45 110.135 -175.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.0 m -70.93 -21.55 62.35 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 113.475 0.917 . . . . 61.41 113.475 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.8 m -145.93 80.32 10.5 Favored Pre-proline 0 N--CA 1.481 1.08 0 N-CA-C 109.305 -0.628 . . . . 54.43 109.305 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -76.07 30.64 0.39 Allowed 'Trans proline' 0 C--O 1.253 1.268 0 N-CA-C 118.175 2.337 . . . . 61.23 118.175 -173.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.5 p -117.28 153.37 49.97 Favored Pre-proline 0 C--O 1.205 -1.282 0 N-CA-C 105.617 -1.994 . . . . 72.3 105.617 176.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -66.18 -33.69 39.17 Favored 'Trans proline' 0 CA--C 1.559 1.736 0 C-N-CA 116.354 -1.964 . . . . 64.22 114.697 -176.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.67 -25.19 49.36 Favored 'General case' 0 C--O 1.255 1.39 0 CA-C-O 122.454 1.121 . . . . 73.3 112.515 173.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.48 -45.23 91.03 Favored Glycine 0 C--O 1.219 -0.81 0 CA-C-N 113.024 -1.898 . . . . 70.53 109.16 176.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.8 t -58.19 -43.3 85.39 Favored 'Isoleucine or valine' 0 C--O 1.258 1.54 0 N-CA-C 108.926 -0.768 . . . . 70.53 108.926 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.82 -39.57 85.53 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.582 -0.735 . . . . 55.23 111.025 -175.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.3 mmm-85 -80.41 -41.37 24.68 Favored 'General case' 0 C--O 1.212 -0.913 0 CA-C-O 123.068 1.413 . . . . 74.22 110.465 -176.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.08 -39.9 87.67 Favored 'General case' 0 C--O 1.21 -1.014 0 CA-C-N 114.787 -1.097 . . . . 73.35 110.916 -177.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 pp -78.54 -27.86 46.0 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 119.601 -1.937 . . . . 72.21 109.441 177.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.82 -30.22 70.82 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 108.97 -0.752 . . . . 75.13 108.97 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.89 -20.81 64.15 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 115.062 -0.972 . . . . 72.42 111.552 175.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -77.93 -19.38 54.73 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.626 -0.879 . . . . 62.13 108.626 -179.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.5 t -100.31 -4.5 29.12 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 123.82 0.848 . . . . 73.13 109.707 -178.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.54 147.15 53.69 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 107.036 -1.468 . . . . 70.12 107.036 174.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.2 m -59.21 -34.86 72.66 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 114.224 -1.353 . . . . 74.44 110.602 175.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -107.45 58.52 0.62 Allowed 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 114.456 -1.247 . . . . 71.34 109.224 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 82.8 p -70.55 165.26 23.09 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.341 -0.543 . . . . 74.1 109.86 176.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -73.78 150.52 88.56 Favored Pre-proline 0 CA--C 1.569 1.688 0 CA-C-O 121.79 0.805 . . . . 62.54 111.559 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.33 166.73 28.82 Favored 'Trans proline' 0 C--N 1.378 2.128 0 C-N-CA 116.508 -1.861 . . . . 74.33 115.342 -173.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -126.18 152.68 45.69 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 123.908 0.883 . . . . 74.54 108.775 176.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -82.62 149.54 27.35 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 117.935 0.334 . . . . 75.42 111.295 175.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -86.32 143.74 27.72 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.83 0.852 . . . . 73.23 109.504 178.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? . . . . . 0 C--N 1.315 -0.928 0 N-CA-C 102.609 -3.108 . . . . 75.52 102.609 -177.457 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.463 0.219 0 CA-C-O 121.353 0.597 . . . . 0.0 112.053 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -58.57 -34.93 71.62 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.752 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -71.07 -38.78 72.47 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 119.418 -0.325 . . . . 0.0 111.152 -177.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.6 t -67.1 -43.95 88.4 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.861 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.7 mt -62.95 -41.35 99.49 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.415 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.0 m -57.3 -46.82 82.8 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.598 0.237 . . . . 0.0 111.043 174.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.41 -37.01 79.93 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 121.387 -0.82 . . . . 0.0 111.141 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 43.8 mt -66.24 -32.93 74.65 Favored 'General case' 0 C--O 1.214 -0.785 0 O-C-N 121.858 -0.526 . . . . 0.0 111.215 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -59.85 -47.67 84.78 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 174.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.72 -35.89 79.35 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -176.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -65.65 -35.64 81.37 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.485 0.659 . . . . 0.0 111.919 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.3 mm -85.83 -33.62 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.077 0 CA-C-O 122.462 1.125 . . . . 0.0 112.441 -174.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.8 mt -93.92 -25.07 17.45 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 114.231 1.196 . . . . 0.0 114.231 -175.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.72 32.55 57.09 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 120.296 -0.954 . . . . 0.0 113.759 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.8 m -105.83 154.59 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -179.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -64.55 -44.87 89.41 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.604 0.716 . . . . 0.0 111.827 -177.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 87.7 mtt-85 -139.21 157.3 46.17 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.581 -174.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.4 t -136.18 123.23 32.95 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.092 0 O-C-N 127.491 2.994 . . . . 0.0 107.51 175.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.38 168.74 54.04 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 108.989 -1.644 . . . . 0.0 108.989 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -69.45 -20.96 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 121.205 -1.174 . . . . 0.0 111.126 178.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -115.67 20.4 14.67 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -177.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.87 126.64 30.88 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.16 -0.616 . . . . 0.0 111.88 -174.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.87 115.79 17.89 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.21 0.528 . . . . 0.0 110.804 -176.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -49.78 -41.58 44.65 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.859 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 12.2 p-80 -72.31 -26.25 61.87 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -176.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -84.75 -22.96 29.46 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -177.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.9 mt -79.23 11.57 2.8 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.731 174.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.17 4.16 66.91 Favored Glycine 0 C--N 1.331 0.29 0 CA-C-O 121.359 0.422 . . . . 0.0 114.124 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.71 147.38 48.22 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-O 122.486 1.048 . . . . 0.0 115.066 -178.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 79.6 p -137.98 170.29 16.31 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.6 m -61.98 -29.51 70.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.05 0.452 . . . . 0.0 111.203 177.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.32 -34.76 78.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.528 178.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.9 mt -83.97 -34.24 24.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.768 0.318 . . . . 0.0 110.733 176.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.18 -36.8 75.97 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -69.5 -27.24 65.02 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 121.228 -0.92 . . . . 0.0 111.998 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -75.98 -31.59 59.06 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 177.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.6 tp -67.46 -46.41 73.12 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 69.2 mt -59.8 -41.66 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.003 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.44 -45.2 94.52 Favored 'General case' 0 C--O 1.206 -1.204 0 C-N-CA 120.329 -0.548 . . . . 0.0 111.293 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 -64.24 -34.89 79.14 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 121.322 -0.861 . . . . 0.0 111.607 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.1 mt -61.99 -32.38 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.775 0 CA-C-O 121.353 0.597 . . . . 0.0 110.938 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -68.83 -30.25 68.76 Favored 'General case' 0 CA--C 1.503 -0.84 0 C-N-CA 119.576 -0.85 . . . . 0.0 112.497 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -75.74 -39.47 57.13 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 104.165 -2.531 . . . . 0.0 104.165 -174.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -90.05 -46.2 8.65 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.84 -169.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.4 mt -100.73 -7.64 23.56 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-O 121.093 0.473 . . . . 0.0 110.769 -174.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.23 16.83 78.61 Favored Glycine 0 N--CA 1.465 0.625 0 CA-C-N 115.421 -0.809 . . . . 0.0 115.113 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.0 m -139.04 156.19 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 118.066 0.933 . . . . 0.0 111.132 -176.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -84.17 122.73 29.25 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -73.61 120.9 83.58 Favored Pre-proline 0 CA--C 1.543 0.711 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -68.42 106.63 1.45 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 CA-C-O 121.469 0.529 . . . . 0.0 112.809 177.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.7 tt -56.05 -26.36 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -175.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.2 mmm-85 -63.7 -34.63 78.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 120.716 -1.24 . . . . 0.0 110.458 175.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -75.44 -31.85 60.47 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.5 tp -65.5 -41.79 92.81 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 177.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -70.88 -38.24 73.06 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.106 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.3 t -71.77 -28.0 63.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.876 0.37 . . . . 0.0 111.489 -178.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.2 m -142.39 83.88 11.72 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -79.11 32.67 0.47 Allowed 'Trans proline' 0 N--CA 1.48 0.726 0 C-N-CA 121.857 1.705 . . . . 0.0 114.492 -176.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 81.6 p -120.72 153.71 56.95 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 176.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.25 -31.78 17.71 Favored 'Trans proline' 0 CA--C 1.535 0.566 0 C-N-CA 115.593 -2.471 . . . . 0.0 114.401 -173.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.9 -29.21 35.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 121.357 -0.84 . . . . 0.0 109.76 175.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.56 -49.85 53.17 Favored Glycine 0 CA--C 1.5 -0.865 0 C-N-CA 120.192 -1.004 . . . . 0.0 110.674 -177.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.51 -36.93 77.37 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.304 0 CA-C-O 119.49 -0.29 . . . . 0.0 110.369 -176.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.85 -44.14 97.43 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 123.862 0.726 . . . . 0.0 111.682 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -77.36 -31.6 54.45 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.442 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.22 -49.27 67.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.032 0.444 . . . . 0.0 112.104 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 C--O 1.218 -0.59 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.2 177.756 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.4 m . . . . . 0 C--O 1.221 -0.408 0 CA-C-O 121.131 0.491 . . . . 74.42 110.541 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.16 -40.04 80.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.854 -0.612 . . . . 70.12 111.045 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -68.4 -35.85 78.27 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.089 0.403 . . . . 74.0 112.089 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.4 t -67.18 -45.1 87.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 107.876 -1.157 . . . . 74.41 107.876 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.4 mt -64.42 -37.98 89.43 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 116.057 -0.52 . . . . 73.13 111.68 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.4 m -58.38 -46.86 85.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.31 -0.244 . . . . 70.21 110.97 174.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.53 -33.69 74.54 Favored 'General case' 0 C--O 1.218 -0.596 0 O-C-N 121.627 -0.671 . . . . 71.43 110.061 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.06 -37.58 88.03 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 119.278 -0.391 . . . . 73.35 110.762 176.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -60.54 -45.01 95.47 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 107.126 -1.435 . . . . 73.35 107.126 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.52 -36.36 80.32 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 114.719 1.377 . . . . 41.12 114.719 -175.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.0 -32.95 69.91 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.823 -0.548 . . . . 72.43 109.853 -177.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.8 mm -84.91 -36.89 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.508 0 N-CA-C 113.693 0.997 . . . . 71.42 113.693 -176.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.2 mt -88.63 -18.25 28.37 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 124.015 0.926 . . . . 54.43 111.924 -177.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.18 32.89 51.05 Favored Glycine 0 C--O 1.226 -0.404 0 C-N-CA 121.152 -0.547 . . . . 74.22 113.092 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.7 m -115.55 154.15 17.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 122.473 -0.428 . . . . 73.54 110.357 -178.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.446 ' HB2' ' HE ' ' A' ' 27' ' ' ARG . 94.0 mt-10 -68.61 -34.95 76.66 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 114.456 1.28 . . . . 65.02 114.456 -176.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.446 ' HE ' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -146.35 158.06 43.85 Favored 'General case' 0 CA--C 1.494 -1.2 0 O-C-N 121.971 -0.456 . . . . 75.2 110.103 -173.443 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.66 137.88 31.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.31 -0.859 . . . . 74.32 109.32 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.35 164.19 39.83 Favored Glycine 0 CA--C 1.518 0.254 0 O-C-N 121.464 -0.773 . . . . 60.01 112.047 175.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -66.66 -22.81 30.3 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.986 0 O-C-N 121.658 -0.907 . . . . 41.35 112.91 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.99 22.85 12.29 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 120.935 0.397 . . . . 62.32 111.092 179.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.73 133.01 47.01 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.48 -0.488 . . . . 71.01 110.326 -175.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.43 123.16 27.27 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.524 -0.47 . . . . 60.31 109.791 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -51.64 -39.93 59.03 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.287 0.477 . . . . 62.55 112.287 -178.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -79.0 -14.32 59.27 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 114.863 1.431 . . . . 71.32 114.863 -177.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -71.48 -34.37 70.12 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.695 0.759 . . . . 61.32 109.319 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -82.11 20.1 1.07 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.193 -0.912 . . . . 52.03 110.683 176.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.1 9.72 83.74 Favored Glycine 0 C--O 1.239 0.446 0 O-C-N 121.945 -0.472 . . . . 64.14 113.243 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.8 132.85 49.57 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-O 122.093 0.829 . . . . 50.0 112.69 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.8 m -122.2 165.37 16.26 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.072 -0.564 . . . . 75.32 109.501 -176.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 t -55.9 -36.97 68.25 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.118 0.414 . . . . 62.44 112.118 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.95 -37.58 88.13 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.8 -0.563 . . . . 74.25 111.708 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.5 mt -71.99 -31.18 66.0 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.146 -0.346 . . . . 75.42 110.678 178.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.29 -34.55 75.4 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 116.488 -0.324 . . . . 63.15 110.344 177.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 89.0 mtp -65.38 -31.97 73.36 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 121.427 0.632 . . . . 63.02 110.582 177.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -75.82 -36.53 59.64 Favored 'General case' 0 C--O 1.205 -1.255 0 CA-C-O 121.156 0.503 . . . . 74.33 110.376 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 41.9 tp -58.45 -47.44 84.0 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.475 -1.239 . . . . 53.11 108.841 177.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 57.3 mt -60.45 -38.84 79.26 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 CA-C-N 114.647 -1.161 . . . . 71.35 110.309 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.53 -42.43 98.81 Favored 'General case' 0 C--O 1.207 -1.145 0 C-N-CA 120.396 -0.522 . . . . 72.43 110.98 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 72.3 mtt-85 -67.73 -31.53 71.52 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 113.648 0.981 . . . . 74.5 113.648 178.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.1 mt -61.67 -32.82 54.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 O-C-N 121.445 -0.784 . . . . 73.23 110.28 176.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -66.38 -29.63 69.84 Favored 'General case' 0 C--O 1.219 -0.52 0 O-C-N 121.337 -0.852 . . . . 74.35 112.505 175.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -81.52 -33.94 31.51 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.479 -0.563 . . . . 73.52 109.479 -175.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -91.22 -52.02 5.02 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 115.021 1.489 . . . . 53.15 115.021 -176.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.6 mt -96.61 -8.18 32.38 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 122.43 1.109 . . . . 74.22 109.976 -173.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.77 19.56 79.37 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 114.752 -1.113 . . . . 70.22 114.784 177.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.0 m -140.83 153.25 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-O 121.35 0.595 . . . . 72.43 111.358 -175.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -83.93 109.57 17.71 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.242 -0.651 . . . . 72.32 109.242 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.5 tp -65.94 123.78 85.9 Favored Pre-proline 0 C--N 1.327 -0.403 0 C-N-CA 119.933 -0.707 . . . . 71.23 109.196 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -64.81 123.4 11.61 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 117.878 -0.948 . . . . 73.41 110.015 171.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.0 tt -60.96 -24.29 32.4 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-O 121.336 0.589 . . . . 60.31 111.365 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.2 tpp85 -63.5 -34.55 78.02 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 121.577 -0.702 . . . . 74.11 110.462 176.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -68.28 -36.37 79.29 Favored 'General case' 0 N--CA 1.432 -1.33 0 CA-C-N 119.287 0.949 . . . . 43.51 109.455 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.9 tp -65.68 -43.77 88.24 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.523 0.678 . . . . 61.42 109.704 178.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -69.86 -24.34 63.42 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.835 -0.541 . . . . 63.11 112.111 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.7 m -82.08 -23.72 35.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.073 0.464 . . . . 74.42 110.648 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.6 m -153.2 92.38 3.26 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 109.637 -0.505 . . . . 63.12 109.637 -178.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -80.06 18.86 1.1 Allowed 'Trans proline' 0 CA--C 1.539 0.761 0 N-CA-C 115.978 1.492 . . . . 43.43 115.978 -174.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 39.8 p -111.43 155.84 42.22 Favored Pre-proline 0 CA--C 1.51 -0.579 0 CA-C-N 118.551 0.614 . . . . 74.11 109.754 178.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -68.89 -32.87 21.54 Favored 'Trans proline' 0 C--O 1.252 1.216 0 C-N-CA 115.297 -2.669 . . . . 74.35 113.141 -174.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -79.33 -28.31 42.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 119.864 1.211 . . . . 71.34 112.101 174.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.03 -47.99 69.22 Favored Glycine 0 CA--C 1.5 -0.888 0 N-CA-C 110.407 -1.077 . . . . 75.51 110.407 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.2 p -66.09 -33.7 65.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 C-N-CA 121.34 -0.144 . . . . 42.11 111.307 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.74 -44.39 97.0 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.019 0.928 . . . . 71.34 109.582 176.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 65.2 mtm180 -66.64 -42.14 87.17 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 120.974 -1.079 . . . . 71.33 109.604 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.02 -44.93 87.57 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.646 -0.706 . . . . 42.31 112.81 -176.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.4 pp . . . . . 0 C--N 1.314 -0.956 0 O-C-N 121.983 -0.448 . . . . 72.21 110.117 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.3 m . . . . . 0 C--O 1.234 0.277 0 CA-C-O 120.863 0.363 . . . . 72.41 110.956 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -59.06 -44.54 91.84 Favored 'General case' 0 CA--C 1.505 -0.787 0 N-CA-C 113.036 0.754 . . . . 71.0 113.036 -175.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -62.98 -32.99 74.45 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 119.572 -0.851 . . . . 61.22 112.449 -175.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.8 t -70.45 -49.77 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 N-CA-C 109.896 -0.409 . . . . 61.02 109.896 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 pp -69.76 -30.51 68.11 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.51 -0.476 . . . . 53.4 111.668 -178.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.5 m -63.22 -45.09 93.25 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 121.986 -0.446 . . . . 71.21 110.705 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.04 86.29 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.756 -0.59 . . . . 54.54 109.802 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 mp -63.46 -38.57 91.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.969 -0.559 . . . . 70.44 110.566 177.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -57.01 -45.41 83.08 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 106.941 -1.503 . . . . 72.42 106.941 177.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.71 -39.06 87.16 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 113.985 1.106 . . . . 72.4 113.985 -176.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -67.64 -41.76 83.36 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.823 0.675 . . . . 73.44 112.823 177.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 30.0 mm -76.11 -36.82 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.033 0 CA-C-N 114.863 -1.062 . . . . 73.23 111.694 -173.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 mt -91.74 -19.15 22.91 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.375 -0.83 . . . . 72.55 112.271 -177.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.25 34.76 54.29 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.758 -0.734 . . . . 33.34 113.046 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.2 m -111.67 153.3 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-O 121.038 0.447 . . . . 62.23 111.113 -177.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -67.71 -32.06 72.43 Favored 'General case' 0 C--O 1.275 2.405 0 N-CA-C 113.595 0.961 . . . . 54.45 113.595 -174.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.296 43.0 ttp180 -152.8 157.64 41.07 Favored 'General case' 0 N--CA 1.417 -2.097 0 N-CA-C 105.754 -1.943 . . . . 72.34 105.754 -171.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.3 t -134.0 129.71 54.54 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 CA-C-O 122.819 1.295 . . . . 75.04 113.405 172.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.61 169.57 27.43 Favored Glycine 0 N--CA 1.439 -1.152 0 O-C-N 119.591 -1.943 . . . . 75.05 113.572 172.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -66.4 -23.72 32.09 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 N-CA-C 114.977 1.473 . . . . 74.11 114.977 177.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -98.71 3.66 47.7 Favored 'General case' 0 N--CA 1.437 -1.1 0 N-CA-C 115.281 1.586 . . . . 71.25 115.281 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.33 116.84 18.27 Favored 'General case' 0 C--N 1.308 -1.225 0 O-C-N 120.954 -1.091 . . . . 62.31 110.331 -169.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.56 132.72 37.27 Favored 'General case' 0 C--O 1.21 -0.984 0 CA-C-O 122.076 0.941 . . . . 64.43 108.497 -176.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -55.85 -37.25 68.5 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.455 -1.248 . . . . 72.32 109.503 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -78.46 -18.45 54.86 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 120.942 -1.099 . . . . 72.24 113.802 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -81.25 -30.17 34.21 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 106.893 -1.521 . . . . 73.24 106.893 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 78.3 mt -82.55 19.46 1.27 Allowed 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 114.616 -1.175 . . . . 74.43 111.577 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.04 2.78 88.13 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 116.195 1.238 . . . . 73.32 116.195 176.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.76 150.34 49.21 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 115.017 0.767 . . . . 70.15 115.017 -178.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 84.9 p -126.03 170.73 11.44 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 122.875 0.47 . . . . 75.51 109.796 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.1 p -65.3 -30.6 71.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.965 0.412 . . . . 61.34 110.725 177.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.14 -43.62 77.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.395 0.617 . . . . 75.34 109.458 176.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.0 tp -67.55 -32.26 72.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.907 -0.588 . . . . 62.25 110.896 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.38 -31.38 65.74 Favored 'General case' 0 C--O 1.205 -1.239 0 N-CA-C 112.602 0.593 . . . . 74.25 112.602 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.5 mmt -62.27 -31.69 72.3 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 121.71 0.767 . . . . 75.15 110.923 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -75.14 -35.33 61.67 Favored 'General case' 0 CA--C 1.507 -0.694 0 O-C-N 121.667 -0.646 . . . . 74.3 109.973 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 53.0 tp -62.08 -47.35 85.06 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 107.936 -1.135 . . . . 55.55 107.936 177.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 71.2 mt -60.4 -43.59 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-N 115.41 -0.814 . . . . 73.42 109.338 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.84 96.2 Favored 'General case' 0 C--O 1.21 -1.015 0 C-N-CA 121.354 -0.138 . . . . 63.12 111.15 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.58 -39.46 93.78 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 120.942 0.401 . . . . 74.22 111.754 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 79.7 mt -62.04 -29.78 47.24 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.112 0 N-CA-C 112.448 0.536 . . . . 52.23 112.448 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -66.19 -31.39 72.2 Favored 'General case' 0 C--O 1.172 -3.005 0 N-CA-C 112.836 0.68 . . . . 74.54 112.836 177.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -78.52 -38.98 39.31 Favored 'General case' 0 CA--C 1.487 -1.465 0 N-CA-C 106.241 -1.763 . . . . 75.23 106.241 -176.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -82.23 -43.59 17.43 Favored 'General case' 0 CA--C 1.562 1.441 0 CA-C-O 121.677 0.751 . . . . 70.24 112.062 -170.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.2 mt -112.88 -4.7 13.92 Favored 'General case' 0 C--N 1.358 0.962 0 O-C-N 121.834 -0.541 . . . . 73.31 110.38 -169.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.96 17.62 79.45 Favored Glycine 0 N--CA 1.475 1.265 0 C-N-CA 120.441 -0.885 . . . . 22.3 114.392 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.4 m -140.63 148.29 22.17 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 CA-C-O 121.661 0.743 . . . . 61.11 112.622 -177.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -77.3 117.84 19.2 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 107.644 -1.243 . . . . 75.33 107.644 173.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.3 tp -61.97 126.95 88.47 Favored Pre-proline 0 CA--C 1.539 0.521 0 N-CA-C 108.201 -1.037 . . . . 61.2 108.201 176.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -63.68 118.93 5.84 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 117.328 -1.314 . . . . 73.31 111.228 176.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.8 tt -62.51 -25.28 37.55 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 O-C-N 121.798 -0.564 . . . . 72.42 110.693 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -61.38 -41.3 96.87 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 122.084 -0.385 . . . . 75.35 110.545 175.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -69.21 -38.09 78.4 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 118.039 0.381 . . . . 72.15 110.358 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.4 tp -64.96 -43.96 90.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.503 -0.317 . . . . 74.03 110.623 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.4 m-30 -69.88 -31.32 69.07 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.201 0.445 . . . . 72.24 112.201 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.0 m -76.11 -22.94 54.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.128 0.49 . . . . 31.52 111.563 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 65.6 m -150.23 86.31 5.22 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.521 -0.308 . . . . 74.34 110.276 -178.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -78.6 24.37 0.57 Allowed 'Trans proline' 0 CA--C 1.539 0.773 0 N-CA-C 116.02 1.508 . . . . 75.23 116.02 -176.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.6 p -115.75 155.09 48.02 Favored Pre-proline 0 C--O 1.237 0.417 0 N-CA-C 106.992 -1.484 . . . . 63.32 106.992 175.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -66.85 -36.41 23.61 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 N-CA-C 114.527 0.934 . . . . 75.03 114.527 -177.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.6 -31.46 63.58 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 121.416 -0.803 . . . . 61.13 109.791 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.4 -49.97 41.44 Favored Glycine 0 N--CA 1.442 -0.949 0 N-CA-C 110.285 -1.126 . . . . 72.31 110.285 -177.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.0 p -66.28 -32.45 58.12 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.561 0 O-C-N 122.128 -0.631 . . . . 71.13 110.592 -177.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.24 -48.92 77.84 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 120.278 -0.569 . . . . 73.13 112.138 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.9 ptt-85 -69.56 -32.29 70.99 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 119.5 -0.88 . . . . 71.03 109.688 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.97 -41.01 78.5 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 121.093 0.473 . . . . 74.12 111.167 -177.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 C--N 1.317 -0.846 0 O-C-N 122.034 -0.416 . . . . 41.43 111.352 179.946 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.2 m . . . . . 0 N--CA 1.464 0.246 0 N-CA-C 113.088 0.773 . . . . 71.14 113.088 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.01 -38.51 76.29 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 121.361 0.6 . . . . 72.01 110.533 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -73.94 -34.61 64.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.295 -0.412 . . . . 61.11 111.209 -175.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.1 t -66.97 -45.38 87.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 107.216 -1.402 . . . . 61.03 107.216 177.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.0 mt -66.27 -39.31 89.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.438 -0.346 . . . . 71.43 111.68 -178.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 49.6 m -57.89 -45.79 85.9 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.999 -0.28 . . . . 72.31 110.375 175.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.17 -39.2 82.61 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.595 0.712 . . . . 53.35 111.502 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 tp -62.01 -33.51 74.48 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.507 -0.746 . . . . 75.14 112.47 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -61.92 -44.97 95.69 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.478 -1.304 . . . . 70.41 107.478 175.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.28 -40.69 97.08 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 120.049 -0.661 . . . . 54.23 112.728 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -64.08 -32.06 73.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.409 0.623 . . . . 75.31 111.924 -178.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 34.9 mm -91.01 -37.71 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.916 0 N-CA-C 114.563 1.32 . . . . 73.12 114.563 -175.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.5 mt -89.34 -21.18 23.24 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.712 -0.676 . . . . 65.15 112.581 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.2 26.87 60.93 Favored Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.094 -1.051 . . . . 73.12 113.543 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -102.38 151.62 5.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 121.992 -0.711 . . . . 73.24 111.421 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -68.52 -29.82 68.49 Favored 'General case' 0 C--O 1.246 0.906 0 N-CA-C 112.827 0.677 . . . . 73.1 112.827 -174.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -147.16 149.72 33.53 Favored 'General case' 0 CA--C 1.505 -0.787 0 O-C-N 121.397 -0.814 . . . . 73.42 109.687 -172.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.3 t -138.65 131.13 38.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 106.502 -1.666 . . . . 70.24 106.502 175.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.64 171.48 30.5 Favored Glycine 0 CA--C 1.533 1.197 0 N-CA-C 110.017 -1.233 . . . . 43.01 110.017 175.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.1 m -71.59 -22.22 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 N-CA-C 113.198 0.814 . . . . 74.15 113.198 -177.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -111.84 17.9 19.36 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.47 -1.241 . . . . 75.32 110.3 -177.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.38 122.43 22.95 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.395 -0.522 . . . . 74.11 110.859 -176.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.62 127.25 32.66 Favored 'General case' 0 C--O 1.211 -0.935 0 N-CA-C 108.613 -0.884 . . . . 54.12 108.613 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -56.03 -35.89 67.36 Favored 'General case' 0 C--O 1.211 -0.928 0 CA-C-N 116.192 -0.458 . . . . 74.01 110.913 -178.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -79.97 -20.93 44.4 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 114.349 1.24 . . . . 74.41 114.349 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -74.13 -33.68 63.63 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 122.616 1.198 . . . . 71.43 108.202 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.2 mt -79.95 22.23 0.51 Allowed 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 114.287 -1.324 . . . . 71.21 112.76 177.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.94 27.73 52.4 Favored Glycine 0 N--CA 1.464 0.543 0 N-CA-C 114.654 0.621 . . . . 73.2 114.654 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.15 156.52 52.07 Favored Glycine 0 CA--C 1.523 0.566 0 CA-C-O 122.471 1.039 . . . . 72.41 115.636 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.7 t -143.01 158.12 43.9 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.021 -1.103 . . . . 64.14 108.021 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.8 p -63.7 -32.34 73.8 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.57 -0.9 . . . . 75.11 108.57 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.19 -29.46 70.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.162 -0.927 . . . . 63.43 110.809 178.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.5 mt -88.67 -29.08 20.17 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 122.346 -0.222 . . . . 71.15 110.988 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.21 -43.03 87.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.649 0.261 . . . . 63.42 110.404 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 27.7 ptm -69.75 -27.05 64.62 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.481 -0.488 . . . . 71.03 111.754 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -74.72 -31.39 61.83 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.232 0.539 . . . . 75.34 109.705 176.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 48.2 tp -67.86 -46.68 71.04 Favored 'General case' 0 C--O 1.212 -0.884 0 N-CA-C 108.15 -1.056 . . . . 61.15 108.15 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.6 mt -61.08 -37.9 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-N 116.253 -0.43 . . . . 64.12 110.26 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.26 99.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.139 0.495 . . . . 45.1 109.848 177.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -68.53 -32.98 73.31 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.568 0.951 . . . . 61.45 113.568 177.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.506 HG21 ' HB2' ' A' ' 59' ' ' LEU . 92.6 mt -59.23 -35.26 56.9 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 CA-C-O 122.776 1.274 . . . . 74.23 111.627 176.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -60.9 -28.61 69.03 Favored 'General case' 0 CA--C 1.511 -0.53 0 O-C-N 120.589 -1.319 . . . . 73.4 113.425 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -81.12 -40.22 24.37 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 106.85 -1.537 . . . . 74.41 106.85 -175.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -82.51 -52.45 6.84 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.097 -0.956 . . . . 72.21 112.474 -170.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.7 mt -96.57 -9.44 29.44 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-N 115.749 -0.66 . . . . 71.2 110.562 -175.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.65 18.91 79.64 Favored Glycine 0 C--N 1.339 0.695 0 N-CA-C 115.904 1.122 . . . . 34.1 115.904 178.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.5 m -139.1 152.05 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 121.37 0.605 . . . . 71.42 111.66 -175.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -84.22 98.39 9.92 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.991 -1.115 . . . . 74.21 107.991 175.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.506 ' HB2' HG21 ' A' ' 51' ' ' ILE . 1.5 tm? -71.11 121.03 83.01 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-O 121.373 0.606 . . . . 74.31 111.177 -174.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -61.7 132.67 41.29 Favored 'Trans proline' 0 C--N 1.345 0.394 0 N-CA-C 111.473 -0.241 . . . . 73.24 111.473 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.5 tt -61.58 -22.81 28.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 O-C-N 121.744 -0.597 . . . . 73.14 111.427 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -64.98 -33.21 75.51 Favored 'General case' 0 C--O 1.207 -1.172 0 O-C-N 121.923 -0.486 . . . . 75.24 111.091 175.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -40.79 76.59 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 108.49 -0.93 . . . . 73.13 108.49 177.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.4 tp -65.64 -46.16 80.29 Favored 'General case' 0 C--O 1.213 -0.853 0 CA-C-N 116.627 -0.261 . . . . 71.44 111.567 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -71.57 -25.4 62.18 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.703 0.631 . . . . 70.33 112.703 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.8 t -69.43 -30.8 68.82 Favored 'General case' 0 CA--C 1.509 -0.626 0 C-N-CA 120.958 -0.297 . . . . 72.12 110.723 178.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.9 m -151.5 90.06 4.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 108.847 -0.797 . . . . 64.32 108.847 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -79.23 27.81 0.51 Allowed 'Trans proline' 0 C--N 1.354 0.841 0 N-CA-C 116.278 1.607 . . . . 65.44 116.278 -173.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.0 p -116.8 152.36 48.42 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 106.364 -1.717 . . . . 72.5 106.364 178.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -66.63 -32.77 37.71 Favored 'Trans proline' 0 CA--C 1.536 0.616 0 C-N-CA 113.582 -3.812 . . . . 74.02 114.428 -173.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.92 -31.55 63.13 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 120.904 -1.123 . . . . 72.21 109.615 175.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -64.62 -44.55 94.84 Favored Glycine 0 C--O 1.222 -0.602 0 C-N-CA 120.558 -0.829 . . . . 65.12 111.762 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.1 t -57.57 -41.64 79.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 108.665 -0.865 . . . . 53.11 108.665 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.51 98.99 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-O 121.077 0.465 . . . . 74.05 111.169 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 65.7 mtm180 -68.47 -40.44 81.01 Favored 'General case' 0 C--N 1.308 -1.208 0 O-C-N 121.198 -0.939 . . . . 75.15 110.352 178.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.54 -36.8 84.89 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.996 -0.547 . . . . 74.23 111.937 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 pp . . . . . 0 C--N 1.318 -0.767 0 O-C-N 122.12 -0.363 . . . . 72.33 111.531 179.444 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.0 m . . . . . 0 C--O 1.225 -0.193 0 CA-C-O 121.088 0.47 . . . . 74.3 110.909 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -62.39 -42.0 99.08 Favored 'General case' 0 C--O 1.213 -0.863 0 CA-C-N 116.225 -0.443 . . . . 71.44 112.002 -176.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -64.23 -30.72 71.77 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 120.247 -0.581 . . . . 72.02 112.501 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.9 t -71.06 -45.69 70.93 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.56 0 N-CA-C 107.153 -1.425 . . . . 64.43 107.153 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.2 mt -63.66 -43.41 96.81 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.034 -0.53 . . . . 72.11 110.717 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.7 m -57.5 -46.49 83.7 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-O 120.739 0.304 . . . . 72.02 111.307 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.35 -36.28 74.09 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 119.834 -0.746 . . . . 72.32 111.068 -178.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mp -66.35 -31.49 72.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.134 -0.354 . . . . 53.54 111.856 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -60.06 -53.12 61.58 Favored 'General case' 0 C--O 1.203 -1.362 0 N-CA-C 106.18 -1.785 . . . . 73.45 106.18 172.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.11 -46.87 84.84 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.219 0.822 . . . . 61.14 113.219 -175.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -60.64 -33.86 73.43 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.309 0.576 . . . . 74.1 112.378 -177.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 89.9 mt -92.63 -39.89 11.63 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 N-CA-C 112.605 0.594 . . . . 71.52 112.605 -176.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.8 mt -77.54 -25.37 50.09 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.129 0.571 . . . . 74.12 111.279 -177.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.23 35.04 49.9 Favored Glycine 0 C--N 1.329 0.187 0 C-N-CA 120.486 -0.864 . . . . 53.21 112.639 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -109.02 157.23 9.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 121.216 0.531 . . . . 71.32 111.777 -176.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -63.95 -40.24 95.97 Favored 'General case' 0 C--O 1.244 0.797 0 N-CA-C 114.12 1.155 . . . . 74.31 114.12 -176.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -149.51 162.37 40.29 Favored 'General case' 0 CA--C 1.49 -1.353 0 O-C-N 121.963 -0.461 . . . . 73.45 110.483 -177.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.9 t -139.11 126.42 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.66 0 N-CA-C 106.763 -1.569 . . . . 41.42 106.763 175.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.49 165.06 29.66 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 109.706 -1.358 . . . . 75.41 109.706 173.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -25.33 33.7 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 117.894 0.847 . . . . 72.52 112.164 177.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -110.68 19.49 18.6 Favored 'General case' 0 C--O 1.21 -0.992 0 O-C-N 121.968 -0.457 . . . . 73.02 111.784 -177.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.96 130.78 35.55 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 120.323 -0.551 . . . . 63.41 112.385 -175.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.22 124.53 27.96 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.573 0.701 . . . . 61.02 111.284 -176.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -53.14 -40.57 64.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.494 -0.775 . . . . 70.22 111.722 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -78.98 -22.16 46.01 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 114.438 1.273 . . . . 73.4 114.438 -177.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -75.45 -32.31 60.59 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 107.252 -1.388 . . . . 65.22 107.252 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.6 mp -81.58 15.26 2.18 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 113.844 -1.526 . . . . 75.02 110.56 176.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.17 1.01 79.73 Favored Glycine 0 C--O 1.214 -1.149 0 N-CA-C 117.301 1.68 . . . . 71.12 117.301 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -73.84 101.53 1.22 Allowed Glycine 0 C--N 1.317 -0.484 0 N-CA-C 115.945 1.138 . . . . 52.23 115.945 -176.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.3 p -72.03 163.89 27.09 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.108 0.48 . . . . 64.5 110.691 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.8 t -64.68 -23.95 67.42 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.736 -0.602 . . . . 55.04 111.447 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.38 -38.5 74.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.621 0.724 . . . . 73.32 109.242 177.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.3 tp -71.02 -32.58 69.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.593 -0.73 . . . . 53.51 110.475 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.5 -31.76 62.31 Favored 'General case' 0 C--O 1.206 -1.185 0 N-CA-C 112.708 0.633 . . . . 62.22 112.708 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.6 mmt -64.1 -30.72 71.77 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 121.486 -0.759 . . . . 64.14 111.761 177.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -76.35 -32.83 58.86 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.397 -0.815 . . . . 72.1 109.389 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 43.7 tp -60.88 -47.4 86.57 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 108.933 -0.766 . . . . 75.24 108.933 176.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.9 mt -61.71 -40.35 86.5 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 CA-C-N 115.75 -0.659 . . . . 75.04 110.576 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.49 94.06 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 120.857 -0.337 . . . . 72.14 111.428 177.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -65.85 -33.08 75.02 Favored 'General case' 0 C--O 1.208 -1.116 0 O-C-N 122.924 0.14 . . . . 61.01 111.186 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.9 mt -64.13 -27.46 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.68 0 O-C-N 123.915 0.76 . . . . 72.14 110.036 -177.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -65.12 -31.62 72.91 Favored 'General case' 0 C--O 1.202 -1.397 0 CA-C-O 121.85 0.834 . . . . 75.54 112.273 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -80.7 -34.27 34.71 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.893 -0.781 . . . . 63.4 108.893 -175.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -88.29 -45.39 10.08 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 113.554 -1.657 . . . . 72.22 112.375 -174.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 61.3 mt -102.18 -7.99 21.72 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-N 118.911 0.778 . . . . 64.23 110.758 -174.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.77 20.16 79.62 Favored Glycine 0 N--CA 1.465 0.594 0 CA-C-N 115.547 -0.751 . . . . 72.24 113.868 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.7 p -145.77 149.31 16.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.893 0.346 . . . . 72.33 110.453 -175.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -81.14 121.65 26.38 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.754 -0.832 . . . . 73.22 108.754 174.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -66.06 122.38 80.85 Favored Pre-proline 0 C--O 1.241 0.635 0 N-CA-C 109.764 -0.458 . . . . 72.34 109.764 -177.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -67.47 112.06 2.49 Favored 'Trans proline' 0 C--N 1.345 0.39 0 CA-C-O 121.62 0.592 . . . . 55.31 111.832 176.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.6 tt -58.05 -22.67 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 113.431 0.901 . . . . 73.21 113.431 -175.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -61.9 -42.83 99.55 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.717 -0.614 . . . . 73.41 110.603 174.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -76.8 -25.02 52.84 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 110.144 -0.317 . . . . 73.03 110.144 -177.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.8 tp -65.11 -46.66 80.13 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.002 0.429 . . . . 73.32 110.873 173.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -75.05 -22.41 58.41 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.342 -0.39 . . . . 74.03 110.788 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.9 t -63.32 -34.42 77.65 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 122.847 0.459 . . . . 75.4 109.98 177.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 39.7 m -158.65 101.85 1.65 Allowed Pre-proline 0 C--N 1.329 -0.307 0 N-CA-C 109.233 -0.655 . . . . 64.13 109.233 176.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -76.95 42.68 1.14 Allowed 'Trans proline' 0 C--O 1.213 -0.738 0 C-N-CA 121.464 1.443 . . . . 75.03 113.658 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 46.8 p -126.18 151.44 72.02 Favored Pre-proline 0 CA--C 1.509 -0.618 0 N-CA-C 105.567 -2.012 . . . . 72.31 105.567 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -66.68 -33.74 34.27 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 114.64 -3.107 . . . . 72.22 114.619 -173.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.85 -30.33 58.88 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.918 0.866 . . . . 71.34 110.067 175.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -64.24 -43.63 96.74 Favored Glycine 0 C--O 1.217 -0.916 0 N-CA-C 110.72 -0.952 . . . . 71.23 110.72 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.42 -47.6 92.7 Favored 'Isoleucine or valine' 0 C--O 1.27 2.149 0 N-CA-C 110.046 -0.353 . . . . 71.11 110.046 176.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.84 -50.2 71.22 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.631 1.173 . . . . 75.42 112.89 177.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 22.2 ptt-85 -67.37 -33.88 76.14 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 120.029 -1.669 . . . . 73.45 110.022 -177.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.65 -41.97 71.43 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-O 121.451 0.643 . . . . 13.23 112.328 -177.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 C--N 1.318 -0.79 0 CA-C-N 116.04 -0.527 . . . . 73.15 111.773 -179.707 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.6 m . . . . . 0 N--CA 1.469 0.503 0 CA-C-O 121.516 0.674 . . . . 64.13 111.258 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -57.72 -38.77 75.86 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 115.592 -0.731 . . . . 73.11 111.204 178.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -65.44 -39.04 91.59 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 111.513 0.19 . . . . 72.4 111.513 -177.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.3 t -68.99 -42.94 82.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.202 -1.036 . . . . 61.15 108.202 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.8 mt -63.03 -40.16 96.89 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 116.021 -0.536 . . . . 45.35 110.591 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 66.7 m -58.84 -45.09 90.87 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 111.851 0.315 . . . . 72.44 111.851 176.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.56 -38.69 87.64 Favored 'General case' 0 C--O 1.24 0.585 0 C-N-CA 120.103 -0.639 . . . . 72.43 111.312 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.416 HD22 ' HB3' ' A' ' 50' ' ' ARG . 46.7 mt -67.07 -32.21 73.24 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-O 121.42 0.629 . . . . 73.04 111.815 179.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -61.86 -42.97 99.69 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 108.972 -0.751 . . . . 73.43 108.972 174.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.9 98.5 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 113.296 0.85 . . . . 73.42 113.296 -176.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -70.68 -25.4 62.96 Favored 'General case' 0 C--N 1.314 -0.968 0 O-C-N 121.531 -0.73 . . . . 64.02 112.627 -178.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.0 mm -86.33 -40.64 14.47 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 114.029 1.122 . . . . 74.41 114.029 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.0 mt -88.81 -19.43 25.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.043 -0.526 . . . . 72.21 111.458 -176.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.9 23.87 68.28 Favored Glycine 0 C--O 1.239 0.43 0 N-CA-C 113.659 0.224 . . . . 50.04 113.659 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.3 m -98.19 157.61 3.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-O 121.494 0.664 . . . . 75.33 111.893 -175.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -65.32 -41.03 94.41 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 115.061 -0.972 . . . . 73.14 112.726 -174.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.9 mtm180 -144.61 160.06 41.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.306 -0.861 . . . . 74.32 109.517 -177.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.7 t -134.32 125.57 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 O-C-N 124.569 1.168 . . . . 71.22 107.871 176.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.92 161.4 30.56 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 109.151 -1.579 . . . . 65.24 109.151 176.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.0 m -66.98 -15.55 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 O-C-N 121.284 -1.127 . . . . 73.33 112.043 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.4 18.65 13.59 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.186 0.517 . . . . 63.33 111.45 -178.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.85 136.82 40.17 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 120.054 -0.659 . . . . 73.22 110.04 -175.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.78 116.15 22.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.242 -0.436 . . . . 64.45 110.72 -177.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -50.93 -41.31 58.75 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.901 -0.591 . . . . 71.32 112.379 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -74.21 -28.29 61.2 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.236 0.828 . . . . 75.44 113.236 -176.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -75.8 -34.77 60.18 Favored 'General case' 0 C--O 1.211 -0.922 0 N-CA-C 108.582 -0.895 . . . . 63.4 108.582 -176.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.9 mp -75.88 24.23 0.13 Allowed 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 114.788 -1.096 . . . . 71.51 112.487 178.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.23 15.81 60.08 Favored Glycine 0 CA--C 1.524 0.642 0 CA-C-O 121.881 0.711 . . . . 65.14 113.505 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.82 151.27 51.23 Favored Glycine 0 C--O 1.226 -0.393 0 CA-C-O 122.595 1.108 . . . . 74.51 114.6 -178.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 52.0 m -143.33 159.66 41.95 Favored 'General case' 0 C--O 1.217 -0.618 0 N-CA-C 108.29 -1.004 . . . . 72.21 108.29 -178.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.6 t -60.32 -36.03 76.99 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.688 0.756 . . . . 44.51 110.151 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.14 -38.6 91.12 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 121.719 -0.613 . . . . 64.53 111.801 177.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.4 mt -72.81 -30.14 63.82 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 122.329 -0.232 . . . . 71.22 110.696 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.27 -41.71 99.05 Favored 'General case' 0 C--O 1.207 -1.158 0 CA-C-O 121.437 0.637 . . . . 44.24 109.763 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 97.4 mmm -63.89 -36.51 84.17 Favored 'General case' 0 C--O 1.243 0.736 0 O-C-N 121.572 -0.705 . . . . 55.2 110.817 177.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -67.08 -41.64 86.03 Favored 'General case' 0 C--O 1.21 -1.012 0 CA-C-O 120.966 0.412 . . . . 65.11 111.807 176.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.0 tp -59.58 -45.55 91.54 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-O 121.164 0.507 . . . . 73.3 110.217 178.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 59.1 mt -59.69 -36.67 67.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 122.161 -0.337 . . . . 74.24 110.561 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.3 -42.6 99.5 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 120.502 -0.479 . . . . 65.24 111.143 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.416 ' HB3' HD22 ' A' ' 18' ' ' LEU . 25.5 mmt85 -67.67 -31.57 71.65 Favored 'General case' 0 C--O 1.209 -1.038 0 CA-C-O 121.348 0.594 . . . . 74.54 111.934 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.37 -31.61 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 N-CA-C 109.646 -0.502 . . . . 43.3 109.646 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -67.44 -28.85 68.23 Favored 'General case' 0 CA--C 1.513 -0.468 0 O-C-N 121.548 -0.72 . . . . 73.14 112.078 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -79.86 -39.23 31.03 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 109.106 -0.701 . . . . 73.33 109.106 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -85.97 -48.49 8.64 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 115.522 1.675 . . . . 71.01 115.522 -173.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.8 mt -103.24 -6.24 22.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.528 -0.732 . . . . 74.02 110.784 -176.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.93 20.33 77.66 Favored Glycine 0 C--N 1.33 0.205 0 N-CA-C 115.97 1.148 . . . . 54.41 115.97 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.6 m -137.64 154.95 30.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.489 0.661 . . . . 74.43 110.887 -174.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -89.24 107.19 18.91 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.844 -0.798 . . . . 75.0 108.844 174.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -79.98 116.36 60.72 Favored Pre-proline 0 CA--C 1.556 1.187 0 N-CA-C 109.622 -0.51 . . . . 51.14 109.622 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -60.77 135.86 62.72 Favored 'Trans proline' 0 CA--C 1.549 1.265 0 N-CA-C 113.926 0.702 . . . . 74.11 113.926 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.1 tt -62.84 -23.2 32.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 O-C-N 121.808 -0.557 . . . . 72.13 111.157 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -60.63 -32.25 71.4 Favored 'General case' 0 C--O 1.207 -1.163 0 O-C-N 121.413 -0.804 . . . . 75.42 110.202 175.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.51 -38.86 71.09 Favored 'General case' 0 C--O 1.204 -1.337 0 N-CA-C 109.83 -0.433 . . . . 60.43 109.83 -178.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.3 mt -67.99 -41.54 82.16 Favored 'General case' 0 C--O 1.21 -1.005 0 CA-C-N 117.792 0.269 . . . . 62.42 110.882 176.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -66.88 -32.28 73.44 Favored 'General case' 0 C--O 1.211 -0.939 0 O-C-N 121.917 -0.489 . . . . 71.52 111.068 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.4 t -79.7 -25.95 41.04 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 121.458 0.647 . . . . 73.34 110.395 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.5 m -146.88 87.31 6.3 Favored Pre-proline 0 C--O 1.222 -0.37 0 CA-C-N 116.015 -0.539 . . . . 44.24 109.751 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -80.12 20.12 0.96 Allowed 'Trans proline' 0 CA--C 1.536 0.616 0 N-CA-C 116.971 1.873 . . . . 65.15 116.971 -175.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.4 p -114.37 153.7 46.5 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 107.446 -1.316 . . . . 42.51 107.446 177.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.31 -31.87 27.54 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 116.71 -1.727 . . . . 71.02 114.172 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.51 -29.32 61.36 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 121.09 -1.007 . . . . 60.12 111.621 175.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.1 -51.52 13.86 Favored Glycine 0 N--CA 1.441 -1.015 0 N-CA-C 109.58 -1.408 . . . . 74.21 109.58 -178.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.6 p -63.89 -32.93 59.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 O-C-N 122.445 -0.444 . . . . 51.32 111.558 -177.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.72 -48.46 77.7 Favored 'General case' 0 C--O 1.224 -0.261 0 N-CA-C 112.439 0.533 . . . . 61.41 112.439 176.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -76.4 -32.75 58.7 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 120.16 -0.616 . . . . 71.34 111.519 -178.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.38 -39.75 89.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.73 0.3 . . . . 71.3 110.684 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.6 pp . . . . . 0 C--O 1.215 -0.757 0 O-C-N 121.649 -0.657 . . . . 71.13 110.436 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.5 m . . . . . 0 C--O 1.224 -0.289 0 N-CA-C 111.511 0.189 . . . . 71.23 111.511 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -61.15 -40.54 94.24 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.065 0.394 . . . . 72.23 112.065 -177.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.96 -31.57 72.23 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.335 -0.853 . . . . 74.42 110.105 -177.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.0 t -68.57 -51.85 42.16 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.606 0 N-CA-C 109.528 -0.545 . . . . 73.41 109.528 -178.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -70.79 -30.7 67.24 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.955 0.724 . . . . 73.05 112.955 -177.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.7 m -63.2 -46.18 88.23 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 122.174 -0.329 . . . . 54.34 110.873 173.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.91 -35.11 79.73 Favored 'General case' 0 C--O 1.207 -1.158 0 N-CA-C 109.125 -0.694 . . . . 73.34 109.125 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mp -65.33 -33.67 76.52 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.205 -0.452 . . . . 70.11 111.279 178.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -58.02 -48.18 80.84 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 106.752 -1.573 . . . . 71.34 106.752 174.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.02 85.58 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 112.998 0.74 . . . . 25.55 112.998 -174.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -70.82 -34.2 71.47 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 121.463 0.649 . . . . 73.52 110.733 -177.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.8 mm -83.21 -37.4 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 CA-C-N 114.992 -1.004 . . . . 71.32 113.425 -175.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.8 mt -91.01 -23.15 20.47 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 123.76 0.824 . . . . 62.52 112.47 -177.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.24 33.01 37.03 Favored Glycine 0 C--O 1.229 -0.191 0 C-N-CA 120.654 -0.784 . . . . 74.4 112.586 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.8 m -110.04 152.96 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-O 121.38 0.61 . . . . 74.42 111.162 -177.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -68.32 -38.25 81.36 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.846 1.795 . . . . 73.24 115.846 -173.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -144.61 160.83 40.53 Favored 'General case' 0 C--O 1.201 -1.476 0 N-CA-C 107.014 -1.476 . . . . 75.31 107.014 -178.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.1 t -137.24 127.42 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.657 0 O-C-N 124.173 0.921 . . . . 75.21 109.616 177.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.46 166.64 31.94 Favored Glycine 0 C--N 1.346 1.091 0 N-CA-C 110.469 -1.052 . . . . 74.34 110.469 175.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.411 HG22 ' H ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -66.36 -26.36 37.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 118.066 0.933 . . . . 73.05 112.567 178.651 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -106.39 16.62 24.5 Favored 'General case' 0 C--O 1.209 -1.074 0 CA-C-O 121.458 0.647 . . . . 73.43 112.179 -177.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.58 121.55 20.83 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.611 -0.681 . . . . 72.13 112.401 -176.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.76 125.31 28.49 Favored 'General case' 0 C--O 1.214 -0.774 0 CA-C-O 122.182 0.992 . . . . 41.32 109.414 -177.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -55.35 -38.51 68.88 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.767 -0.651 . . . . 71.21 111.431 -178.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -78.47 -22.47 47.51 Favored 'General case' 0 C--O 1.224 -0.27 0 N-CA-C 113.338 0.866 . . . . 72.34 113.338 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -78.35 -29.73 47.69 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.1 -1.074 . . . . 53.3 108.1 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 65.6 mt -76.59 14.29 0.82 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.893 -1.049 . . . . 74.1 111.238 173.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.19 2.22 74.45 Favored Glycine 0 C--O 1.215 -1.07 0 N-CA-C 116.109 1.204 . . . . 74.33 116.109 177.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.09 154.3 52.58 Favored Glycine 0 C--N 1.316 -0.561 0 CA-C-O 122.8 1.222 . . . . 55.11 114.05 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.7 m -137.62 163.67 30.67 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.834 -1.173 . . . . 75.44 107.834 -177.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 m -57.01 -36.16 70.09 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.06 0.763 . . . . 64.1 113.06 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.51 -35.4 77.43 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.368 0.604 . . . . 64.21 110.806 177.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.3 tp -72.14 -34.35 68.47 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.676 -0.49 . . . . 74.35 109.676 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.41 -30.8 65.25 Favored 'General case' 0 C--O 1.199 -1.594 0 CA-C-O 121.138 0.494 . . . . 73.14 112.122 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 91.4 mtp -64.26 -31.43 72.63 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 121.887 -0.508 . . . . 71.44 111.147 176.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -75.06 -33.73 61.74 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 121.244 -0.91 . . . . 72.1 109.185 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 53.8 tp -63.15 -45.79 90.25 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 108.592 -0.892 . . . . 73.44 108.592 176.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.35 -43.76 97.23 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 N-CA-C 109.347 -0.612 . . . . 73.12 109.347 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.38 -43.47 88.47 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 121.075 -0.25 . . . . 73.01 110.831 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.55 -34.08 77.1 Favored 'General case' 0 C--O 1.204 -1.297 0 N-CA-C 112.298 0.481 . . . . 75.54 112.298 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.2 mt -66.32 -30.38 49.66 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.246 0 N-CA-C 106.921 -1.511 . . . . 52.21 106.921 -177.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.41 ' HE ' ' CG ' ' A' ' 58' ' ' ASP . 4.5 mtp-105 -65.68 -31.38 72.36 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.237 -0.915 . . . . 64.24 111.214 178.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -78.66 -36.5 43.72 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.5 -1.296 . . . . 55.21 107.5 -174.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -87.56 -41.92 13.11 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 114.358 1.244 . . . . 71.03 114.358 -175.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 67.5 mt -112.62 -5.67 13.97 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 123.217 0.607 . . . . 75.1 110.984 -171.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.69 18.74 77.53 Favored Glycine 0 N--CA 1.466 0.682 0 N-CA-C 115.619 1.008 . . . . 70.22 115.619 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.9 m -135.25 146.71 29.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-N 118.22 1.01 . . . . 63.42 112.26 -177.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.41 ' CG ' ' HE ' ' A' ' 52' ' ' ARG . 2.2 m-20 -79.21 108.43 12.7 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 106.944 -1.502 . . . . 72.12 106.944 172.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -62.42 122.16 71.58 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 109.102 -0.703 . . . . 62.42 109.102 -178.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.02 118.43 5.31 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 120.174 0.582 . . . . 42.44 111.77 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.7 tt -59.56 -25.82 32.67 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 O-C-N 121.803 -0.561 . . . . 71.24 111.731 -177.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 46.8 ttm-85 -63.84 -36.81 85.13 Favored 'General case' 0 C--O 1.214 -0.782 0 O-C-N 121.417 -0.802 . . . . 74.52 111.521 175.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -70.33 -37.22 74.64 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.017 -0.364 . . . . 65.23 110.017 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 mt -62.75 -47.41 83.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.266 -0.425 . . . . 74.51 111.029 176.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -73.47 -25.03 60.29 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.609 0.596 . . . . 74.14 112.609 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.2 t -69.53 -32.86 71.94 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.238 0.542 . . . . 63.21 110.547 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.7 m -149.84 87.92 4.98 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.72 -0.474 . . . . 72.31 109.72 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -75.51 40.22 0.68 Allowed 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 122.126 1.884 . . . . 73.05 116.8 -174.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.7 p -127.11 153.21 76.65 Favored Pre-proline 0 CA--C 1.507 -0.704 0 N-CA-C 105.623 -1.991 . . . . 62.24 105.623 175.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.59 -39.45 44.23 Favored 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 115.778 -2.348 . . . . 74.41 115.001 -175.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.98 -31.81 68.47 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 122.324 1.059 . . . . 71.53 110.133 177.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.63 -46.5 92.02 Favored Glycine 0 C--O 1.216 -0.989 0 N-CA-C 109.683 -1.367 . . . . 65.31 109.683 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.0 t -63.93 -44.26 97.92 Favored 'Isoleucine or valine' 0 C--O 1.29 3.235 0 CA-C-N 118.186 0.993 . . . . 74.43 110.196 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.14 -49.6 75.42 Favored 'General case' 0 C--O 1.215 -0.725 0 O-C-N 120.318 -1.489 . . . . 75.52 111.499 178.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 38.3 ptt85 -71.92 -29.97 64.86 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.303 -0.873 . . . . 73.03 110.749 -178.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.38 -44.05 76.0 Favored 'General case' 0 CA--C 1.507 -0.685 0 C-N-CA 120.519 -0.472 . . . . 31.13 111.946 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.6 pp . . . . . 0 C--N 1.323 -0.571 0 N-CA-C 109.714 -0.476 . . . . 74.31 109.714 179.343 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.233 0 N-CA-C 112.151 0.426 . . . . 75.31 112.151 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -63.04 -42.36 99.72 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-O 120.707 0.289 . . . . 72.4 111.406 -170.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -69.16 -26.33 64.81 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 113.214 0.82 . . . . 65.51 113.214 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.6 t -71.12 -45.68 70.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 106.385 -1.709 . . . . 74.24 106.385 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.7 mt -66.39 -37.3 84.94 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.54 -0.755 . . . . 75.53 111.623 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.9 m -56.65 -44.13 81.03 Favored 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 120.864 -0.334 . . . . 75.5 110.131 174.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.06 -38.01 81.94 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 121.252 -0.905 . . . . 63.42 111.822 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.5 mt -64.1 -33.56 76.04 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 122.109 -0.369 . . . . 71.44 111.316 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -64.73 -47.48 78.12 Favored 'General case' 0 C--O 1.21 -1.013 0 N-CA-C 106.548 -1.649 . . . . 65.33 106.548 177.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.81 -44.08 86.11 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 111.849 0.315 . . . . 35.42 111.849 -177.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -58.21 -44.04 87.96 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 122.019 0.914 . . . . 75.44 112.046 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -84.06 -40.29 15.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 114.938 -1.028 . . . . 73.53 111.432 -171.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.9 mt -81.47 -22.37 38.13 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 122.566 0.347 . . . . 62.04 111.293 -175.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.59 25.4 70.16 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.445 -0.884 . . . . 63.13 112.528 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.7 m -100.02 151.72 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.666 0.746 . . . . 63.42 109.581 -178.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -67.28 -39.89 86.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.992 -0.549 . . . . 74.11 112.435 -174.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.8 mmt-85 -141.12 166.95 23.38 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-O 121.133 0.492 . . . . 74.3 111.08 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.7 t -145.3 127.41 9.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-N 114.253 -1.34 . . . . 72.11 108.35 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.5 170.06 45.99 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 109.484 -1.446 . . . . 43.42 109.484 175.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -74.88 -24.11 17.9 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.432 0 CA-C-O 122.992 1.377 . . . . 75.45 111.509 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -107.2 16.53 23.97 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 113.51 -1.677 . . . . 75.12 110.835 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.24 129.77 35.47 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.192 0.441 . . . . 73.42 112.192 -172.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.41 121.82 25.63 Favored 'General case' 0 C--O 1.212 -0.884 0 CA-C-O 121.811 0.815 . . . . 44.52 110.594 -177.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -51.76 -39.89 59.33 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.185 -0.916 . . . . 72.11 111.977 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -81.9 -20.26 39.14 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.269 0.84 . . . . 72.43 113.269 -177.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -77.18 -31.76 55.65 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 106.971 -1.492 . . . . 74.15 106.971 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.0 mt -76.96 16.64 0.52 Allowed 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 114.321 -1.309 . . . . 74.53 112.565 174.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.77 4.82 69.32 Favored Glycine 0 C--O 1.237 0.326 0 N-CA-C 115.487 0.955 . . . . 74.31 115.487 177.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.87 158.63 53.41 Favored Glycine 0 C--O 1.217 -0.93 0 CA-C-O 122.252 0.918 . . . . 71.12 114.177 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.3 t -144.85 167.19 23.2 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 114.881 -0.659 . . . . 74.41 109.284 -178.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.0 m -58.39 -30.68 67.01 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.138 0.494 . . . . 62.1 111.46 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.49 -39.81 92.35 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.028 -0.533 . . . . 51.42 110.312 177.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.3 mt -78.29 -25.65 46.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.599 -0.273 . . . . 74.2 111.244 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.61 -32.06 70.06 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 122.135 -0.353 . . . . 73.43 110.357 175.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.8 mmt -66.13 -32.03 73.24 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 120.891 0.377 . . . . 74.45 111.19 177.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -72.47 -37.23 68.54 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.49 -0.93 . . . . 74.44 108.49 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.0 tp -67.27 -44.45 79.32 Favored 'General case' 0 C--N 1.318 -0.79 0 O-C-N 124.536 1.147 . . . . 74.32 108.107 -178.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.7 mt -59.76 -38.29 75.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 109.27 -0.641 . . . . 75.45 109.27 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.99 -45.54 81.25 Favored 'General case' 0 C--O 1.199 -1.555 0 O-C-N 122.017 -0.427 . . . . 74.44 111.513 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -67.88 -33.5 74.85 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-O 120.915 0.388 . . . . 72.22 111.716 -177.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.4 mt -55.16 -36.59 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-O 121.278 0.561 . . . . 71.13 110.021 177.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -64.58 -30.37 71.4 Favored 'General case' 0 C--O 1.209 -1.032 0 O-C-N 121.809 -0.557 . . . . 64.43 112.144 -177.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -82.06 -38.58 24.7 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 107.575 -1.268 . . . . 73.31 107.575 -175.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -86.1 -36.82 19.38 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 114.514 1.302 . . . . 61.03 114.514 -173.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.1 mt -113.92 -6.73 13.19 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.861 -0.524 . . . . 72.5 109.904 -173.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.16 21.23 77.03 Favored Glycine 0 C--N 1.334 0.431 0 N-CA-C 116.15 1.22 . . . . 31.32 116.15 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.1 m -140.33 163.5 23.3 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.615 0 CA-C-N 117.713 0.756 . . . . 74.11 111.749 -175.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -86.65 141.89 28.63 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 107.713 -1.218 . . . . 72.35 107.713 172.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.0 tp -104.99 120.39 50.1 Favored Pre-proline 0 C--N 1.321 -0.642 0 O-C-N 121.998 -0.439 . . . . 75.24 110.246 174.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.88 136.33 72.89 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 N-CA-C 110.499 -0.616 . . . . 61.42 110.499 170.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.3 tt -65.72 -21.99 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 O-C-N 121.222 -0.924 . . . . 43.12 110.733 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.6 ttt85 -62.5 -32.16 73.02 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 121.749 -0.594 . . . . 74.15 110.543 176.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -45.13 94.88 Favored 'General case' 0 C--O 1.219 -0.548 0 O-C-N 123.266 0.354 . . . . 65.23 110.218 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.7 mt -67.15 -41.42 86.07 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 112.01 0.374 . . . . 73.4 112.01 178.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -69.76 -28.11 65.49 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.962 -0.695 . . . . 63.05 112.295 -178.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.3 m -82.92 -19.89 36.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.125 0.488 . . . . 61.44 110.762 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.6 m -151.36 85.25 5.0 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 109.717 -0.475 . . . . 73.12 109.717 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -78.66 18.26 1.0 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 N-CA-C 115.599 1.346 . . . . 73.01 115.599 -174.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.3 p -113.77 154.63 45.77 Favored Pre-proline 0 C--O 1.242 0.664 0 N-CA-C 108.694 -0.854 . . . . 75.25 108.694 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -68.89 -32.29 22.74 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 115.966 -2.223 . . . . 53.13 113.264 -175.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.11 -35.52 64.15 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 121.443 -0.785 . . . . 73.23 110.647 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -64.79 -50.73 56.96 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.496 -0.859 . . . . 50.32 110.956 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.3 p -65.44 -32.72 59.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 122.831 -0.217 . . . . 71.44 110.666 -177.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.11 -46.73 87.75 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 122.276 1.036 . . . . 62.25 111.571 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -75.05 -32.03 61.45 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 115.195 -0.911 . . . . 72.01 109.74 -177.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.25 -41.45 73.51 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.578 0.585 . . . . 53.4 112.578 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.0 pp . . . . . 0 C--N 1.321 -0.637 0 O-C-N 122.329 -0.232 . . . . 60.14 111.109 -177.716 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.221 -0.417 0 N-CA-C 112.673 0.62 . . . . 63.23 112.673 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -63.36 -36.79 84.88 Favored 'General case' 0 CA--C 1.515 -0.368 0 O-C-N 121.832 -0.543 . . . . 73.13 110.154 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -66.54 -39.9 88.82 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.025 -0.534 . . . . 74.11 111.077 -178.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.5 t -65.59 -52.77 46.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 N-CA-C 107.107 -1.442 . . . . 63.14 107.107 178.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.4 mt -58.28 -41.9 85.38 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.626 0.602 . . . . 73.54 112.626 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.66 -44.24 90.11 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 112.327 0.492 . . . . 72.55 112.327 175.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.2 -40.77 77.84 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.509 -0.476 . . . . 65.55 111.346 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.5 mt -67.15 -31.04 71.19 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 120.353 -0.539 . . . . 55.52 111.396 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -57.67 -45.68 85.26 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 108.08 -1.081 . . . . 73.42 108.08 173.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.54 93.33 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 112.557 0.577 . . . . 43.33 112.557 -177.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -65.07 -36.72 85.24 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 121.775 0.798 . . . . 63.24 112.445 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.6 mm -86.43 -37.86 11.94 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 N-CA-C 113.23 0.826 . . . . 74.5 113.23 -173.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.9 mt -87.89 -21.54 24.91 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.206 -0.452 . . . . 54.44 111.781 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.93 30.56 59.18 Favored Glycine 0 C--O 1.237 0.301 0 C-N-CA 121.117 -0.563 . . . . 71.21 112.269 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -104.35 151.27 6.96 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 CA-C-O 121.839 0.828 . . . . 45.12 110.783 -178.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -63.01 -30.55 71.69 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 115.849 1.796 . . . . 70.3 115.849 -173.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -154.67 162.47 41.11 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 107.914 -1.143 . . . . 74.53 107.914 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.4 t -136.94 134.43 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 N-CA-C 107.874 -1.158 . . . . 64.23 107.874 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.01 164.07 33.66 Favored Glycine 0 N--CA 1.465 0.602 0 N-CA-C 108.591 -1.803 . . . . 74.11 108.591 173.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.5 m -69.69 -21.44 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 O-C-N 120.541 -1.564 . . . . 72.42 110.823 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -109.6 17.28 21.5 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-O 121.196 0.522 . . . . 72.25 110.049 -176.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.96 125.14 30.42 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.966 -0.753 . . . . 65.14 108.966 -173.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.05 130.87 35.98 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.107 0.956 . . . . 60.32 111.359 -174.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -54.42 -40.39 68.25 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.103 -0.953 . . . . 74.32 111.728 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -79.34 -20.28 48.23 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.145 0.794 . . . . 72.32 113.145 -178.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -76.09 -35.33 59.41 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 107.053 -1.462 . . . . 74.4 107.053 -179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.1 mt -78.94 15.55 1.08 Allowed 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 113.987 -1.46 . . . . 72.41 112.116 176.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.32 12.56 59.73 Favored Glycine 0 CA--C 1.519 0.332 0 N-CA-C 115.682 1.033 . . . . 72.32 115.682 176.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.63 165.44 54.36 Favored Glycine 0 C--N 1.319 -0.379 0 CA-C-O 122.332 0.962 . . . . 72.3 114.698 -178.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 85.3 p -150.15 165.89 31.49 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.657 -0.868 . . . . 50.31 108.657 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 m -58.4 -34.71 71.03 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-O 121.606 0.717 . . . . 73.23 111.028 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.17 -44.1 76.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.663 0.744 . . . . 53.51 111.353 178.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.3 tp -66.24 -36.72 83.74 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.682 -0.69 . . . . 70.13 109.581 -179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.3 -29.24 63.74 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-N 115.554 -0.748 . . . . 61.24 112.498 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 91.8 mtp -59.43 -35.28 73.72 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 121.917 -0.489 . . . . 75.44 110.801 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.87 -34.55 62.27 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-O 121.223 0.535 . . . . 73.45 110.092 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.3 tp -64.04 -45.54 88.41 Favored 'General case' 0 C--O 1.212 -0.876 0 N-CA-C 107.647 -1.242 . . . . 74.11 107.647 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.17 -41.11 88.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.567 -0.531 . . . . 75.12 109.567 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.0 -42.55 99.88 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.574 -0.285 . . . . 43.14 110.454 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -63.34 -37.96 89.3 Favored 'General case' 0 C--O 1.185 -2.306 0 CA-C-O 121.997 0.903 . . . . 74.12 110.682 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.4 mt -61.44 -30.84 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.387 -3.58 0 CA-C-O 122.878 1.323 . . . . 71.32 110.393 -176.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -65.5 -29.24 69.86 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 115.244 -0.889 . . . . 60.31 113.149 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -77.59 -37.99 49.21 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 108.582 -0.896 . . . . 75.33 108.582 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -91.52 -41.36 10.85 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 115.056 1.502 . . . . 74.32 115.056 -171.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.7 mt -103.22 -2.78 26.69 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 121.116 -0.99 . . . . 73.44 109.484 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.53 16.95 70.24 Favored Glycine 0 C--N 1.335 0.493 0 N-CA-C 116.715 1.446 . . . . 55.44 116.715 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.4 m -139.69 156.51 26.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.249 0.547 . . . . 74.33 110.971 -174.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -86.37 110.44 19.69 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.453 -0.573 . . . . 62.03 109.453 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -65.76 120.08 65.89 Favored Pre-proline 0 CA--C 1.543 0.71 0 CA-C-O 121.192 0.52 . . . . 71.4 111.454 -175.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.432 ' HB2' HE21 ' A' ' 63' ' ' GLN . 26.1 Cg_exo -62.78 116.42 3.53 Favored 'Trans proline' 0 C--N 1.346 0.427 0 N-CA-C 112.751 0.25 . . . . 71.55 112.751 177.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.0 tt -56.46 -25.96 21.81 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 N-CA-C 112.741 0.645 . . . . 71.34 112.741 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -60.85 -42.47 97.87 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.041 0.756 . . . . 74.43 113.041 172.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.432 HE21 ' HB2' ' A' ' 60' ' ' PRO . 1.2 mp0 -68.88 -39.13 79.95 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.654 -0.869 . . . . 72.45 108.654 -178.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -44.92 93.06 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-N 116.287 -0.415 . . . . 61.43 111.174 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -75.27 -25.13 57.77 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 121.016 -1.053 . . . . 72.33 112.878 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 59.6 m -75.38 -26.09 58.21 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.815 0.817 . . . . 72.14 110.657 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.7 m -147.03 79.94 9.71 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 115.327 -0.851 . . . . 74.11 109.957 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -77.65 40.83 0.89 Allowed 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.397 2.065 . . . . 63.14 116.945 -173.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.6 p -124.95 157.41 66.74 Favored Pre-proline 0 N--CA 1.476 0.829 0 N-CA-C 104.562 -2.384 . . . . 70.22 104.562 175.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -67.7 -34.0 26.13 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 114.71 -3.06 . . . . 72.44 113.5 -176.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.99 -35.58 69.53 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 120.779 -1.201 . . . . 71.31 110.245 174.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.42 -46.49 94.25 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 109.852 -1.299 . . . . 73.03 109.852 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 66.4 t -60.72 -40.45 84.92 Favored 'Isoleucine or valine' 0 C--O 1.273 2.293 0 CA-C-N 117.787 0.793 . . . . 74.32 109.535 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.39 98.78 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 114.014 1.116 . . . . 75.34 114.014 178.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -74.24 -35.49 63.84 Favored 'General case' 0 C--N 1.281 -2.386 0 N-CA-C 114.988 1.477 . . . . 60.22 114.988 178.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.03 -45.59 91.57 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 109.927 -0.398 . . . . 72.4 109.927 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 CA--C 1.54 0.56 0 C-N-CA 120.994 -0.283 . . . . 71.12 110.561 -178.937 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 m . . . . . 0 C--O 1.22 -0.47 0 N-CA-C 111.693 0.257 . . . . 50.21 111.693 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -64.19 -35.56 81.2 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.898 -0.502 . . . . 74.03 111.318 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -61.49 -44.27 97.39 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.536 0.684 . . . . 72.52 110.881 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.1 t -65.4 -50.13 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.845 0 N-CA-C 107.095 -1.446 . . . . 65.33 107.095 -176.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.6 mt -61.22 -40.1 92.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.189 -0.46 . . . . 53.34 111.204 -177.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.1 m -59.46 -43.18 93.25 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.731 -0.605 . . . . 74.13 112.275 175.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.25 -37.56 74.97 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.396 0.517 . . . . 65.51 112.396 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.0 mt -63.41 -34.83 78.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.052 0.453 . . . . 72.35 111.305 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -61.11 -46.8 89.14 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 109.446 -0.576 . . . . 70.41 109.446 176.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.7 91.84 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 113.461 0.911 . . . . 60.45 113.461 -175.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -60.33 -47.97 83.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.867 0.842 . . . . 75.25 110.822 -177.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.7 mt -83.2 -38.15 14.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.211 -0.904 . . . . 65.24 112.793 -169.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.2 mt -81.09 -20.05 42.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.562 -0.29 . . . . 75.44 110.874 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.61 29.49 72.84 Favored Glycine 0 N--CA 1.461 0.302 0 C-N-CA 121.245 -0.502 . . . . 60.21 112.935 178.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.5 m -97.95 155.27 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-O 121.507 0.67 . . . . 73.32 110.726 -177.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -62.95 -37.46 87.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.936 -1.029 . . . . 44.55 112.33 -174.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -153.4 161.67 42.06 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.963 -0.754 . . . . 61.42 108.963 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.9 t -130.96 127.9 61.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 N-CA-C 107.892 -1.151 . . . . 53.45 107.892 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.23 163.12 35.69 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 108.727 -1.749 . . . . 54.4 108.727 173.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.38 -25.55 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 O-C-N 120.633 -1.51 . . . . 74.13 110.787 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -104.6 14.62 29.55 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.493 -0.776 . . . . 63.25 111.451 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.45 126.0 30.65 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 109.416 -0.586 . . . . 75.21 109.416 -174.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.94 135.3 36.91 Favored 'General case' 0 C--O 1.213 -0.816 0 O-C-N 121.306 -0.871 . . . . 70.25 111.026 -176.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -54.13 -35.44 62.19 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.26 -0.882 . . . . 73.04 111.726 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -85.09 -18.38 34.45 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.851 0.686 . . . . 51.21 112.851 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -78.31 -34.59 48.57 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 106.224 -1.769 . . . . 73.14 106.224 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.1 mt -77.42 12.83 1.39 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 113.731 -1.577 . . . . 63.32 111.461 174.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.85 5.98 67.83 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 117.908 1.923 . . . . 63.24 117.908 174.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.09 109.85 3.49 Favored Glycine 0 N--CA 1.463 0.499 0 N-CA-C 118.354 2.102 . . . . 74.43 118.354 -175.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.8 m -78.16 161.93 26.99 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 122.082 -0.658 . . . . 70.3 111.515 175.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -57.24 -25.86 59.82 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 114.759 1.392 . . . . 61.24 114.759 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.57 -32.9 70.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.433 -0.792 . . . . 73.44 110.75 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.8 tp -73.71 -30.0 62.59 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.77 -0.65 . . . . 52.44 109.847 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.42 -31.19 61.67 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.012 0.745 . . . . 73.45 113.012 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 19.3 mmt -62.08 -29.19 70.14 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-O 121.649 0.738 . . . . 73.33 111.756 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -76.99 -32.44 57.21 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.027 -1.101 . . . . 74.22 108.027 -177.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 66.5 tp -69.38 -43.47 73.48 Favored 'General case' 0 C--O 1.213 -0.855 0 N-CA-C 108.752 -0.832 . . . . 65.04 108.752 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.6 mt -61.56 -39.3 82.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.358 -0.608 . . . . 75.2 109.358 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.52 -42.22 95.91 Favored 'General case' 0 C--N 1.313 -0.993 0 O-C-N 122.322 -0.236 . . . . 63.41 111.275 176.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -36.89 82.41 Favored 'General case' 0 C--O 1.191 -2.002 0 CA-C-O 121.842 0.829 . . . . 72.05 111.922 177.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 57.9 mt -60.51 -31.18 48.19 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.751 0 CA-C-O 122.96 1.362 . . . . 74.12 110.874 -176.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.4 mtt-85 -65.16 -31.35 72.5 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 113.362 0.875 . . . . 75.42 113.362 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -75.71 -37.72 59.2 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 109.373 -0.602 . . . . 73.31 109.373 -176.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -86.76 -50.62 6.63 Favored 'General case' 0 C--O 1.246 0.891 0 N-CA-C 114.332 1.234 . . . . 72.42 114.332 -175.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 47.9 mt -100.34 -3.62 30.83 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.667 -1.271 . . . . 73.23 110.865 -172.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.49 18.7 73.87 Favored Glycine 0 CA--C 1.503 -0.666 0 N-CA-C 116.55 1.38 . . . . 64.21 116.55 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.4 m -142.59 159.84 19.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 117.513 0.656 . . . . 72.13 109.249 -173.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -98.25 107.22 19.63 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 122.24 1.019 . . . . 74.41 109.431 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 tp -65.36 125.77 90.13 Favored Pre-proline 0 C--O 1.237 0.436 0 C-N-CA 119.712 -0.795 . . . . 52.42 110.342 -178.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -60.11 137.07 73.19 Favored 'Trans proline' 0 N--CA 1.464 -0.211 0 C-N-CA 118.508 -0.528 . . . . 63.13 111.609 173.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.1 tt -64.25 -20.91 27.86 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 CA-C-O 121.888 0.852 . . . . 72.34 108.922 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -64.66 -37.98 89.42 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.534 -0.729 . . . . 74.03 110.892 174.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -42.67 95.25 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 108.494 -0.928 . . . . 72.5 108.494 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.3 tp -63.04 -47.56 82.48 Favored 'General case' 0 C--O 1.209 -1.03 0 CA-C-N 115.943 -0.571 . . . . 74.22 110.996 178.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 -73.98 -20.01 60.48 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.84 -0.537 . . . . 73.35 111.924 -174.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 70.7 m -72.21 -28.95 63.51 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.593 0.711 . . . . 70.23 109.997 178.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.2 p -157.75 90.44 2.33 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.396 -0.82 . . . . 62.21 109.059 -177.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -79.11 34.88 0.53 Allowed 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 121.961 1.774 . . . . 74.2 115.891 -173.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.5 p -122.58 149.56 55.89 Favored Pre-proline 0 CA--C 1.497 -1.095 0 N-CA-C 105.233 -2.136 . . . . 71.43 105.233 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -58.28 -41.23 68.57 Favored 'Trans proline' 0 CA--C 1.546 1.083 0 C-N-CA 117.27 -1.353 . . . . 72.2 115.017 -178.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.12 -35.71 78.56 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 120.852 -1.155 . . . . 60.34 110.614 176.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.39 -48.49 84.89 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.825 -0.91 . . . . 53.55 110.825 178.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 76.4 t -58.32 -42.12 83.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 O-C-N 122.305 -0.526 . . . . 55.51 110.038 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.88 -44.49 86.71 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-O 120.647 0.261 . . . . 64.54 111.515 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 53.7 mtp85 -69.6 -38.17 77.17 Favored 'General case' 0 C--O 1.245 0.864 0 C-N-CA 120.105 -0.638 . . . . 74.12 111.767 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.97 -40.53 87.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.783 0.325 . . . . 63.43 111.431 -176.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 C--N 1.316 -0.886 0 N-CA-C 109.636 -0.505 . . . . 52.35 109.636 179.882 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.467 0.399 0 N-CA-C 111.705 0.261 . . . . 64.43 111.705 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -57.31 -39.18 75.28 Favored 'General case' 0 C--O 1.214 -0.801 0 C-N-CA 120.854 -0.339 . . . . 74.4 111.105 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -65.34 -42.84 92.48 Favored 'General case' 0 CA--C 1.5 -0.951 0 CA-C-N 115.529 -0.76 . . . . 74.31 112.182 -174.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.5 t -66.77 -45.43 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 N-CA-C 108.324 -0.991 . . . . 75.34 108.324 -177.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.86 -38.17 90.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.528 0.68 . . . . 71.23 112.076 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 47.2 m -59.89 -50.19 74.76 Favored 'General case' 0 C--O 1.21 -1.005 0 CA-C-N 115.929 -0.578 . . . . 62.3 109.795 175.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.85 -33.81 76.89 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 118.039 -1.464 . . . . 33.42 110.374 -175.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mp -68.32 -32.43 72.56 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 123.747 0.819 . . . . 71.0 111.567 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -62.64 -49.26 75.89 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 107.806 -1.183 . . . . 75.45 107.806 175.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.86 -32.03 73.19 Favored 'General case' 0 CA--C 1.563 1.459 0 C-N-CA 119.468 -0.893 . . . . 71.04 111.03 -176.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -67.31 -37.65 83.68 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 125.072 1.482 . . . . 75.21 110.32 -177.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.5 mm -85.33 -39.39 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.828 0 CA-C-N 114.199 -1.364 . . . . 63.34 112.711 -173.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.5 mt -80.05 -23.3 41.49 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 114.906 -1.043 . . . . 63.14 111.761 -177.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.07 33.53 44.98 Favored Glycine 0 C--O 1.228 -0.223 0 C-N-CA 120.546 -0.835 . . . . 41.22 112.858 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.2 m -111.27 154.27 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 109.275 -0.639 . . . . 64.42 109.275 -178.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.44 -38.32 87.14 Favored 'General case' 0 C--O 1.269 2.113 0 CA-C-O 120.911 0.386 . . . . 71.34 111.771 -174.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -149.51 164.83 33.98 Favored 'General case' 0 CA--C 1.486 -1.512 0 N-CA-C 105.338 -2.097 . . . . 73.51 105.338 -176.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 12.1 p -154.26 139.45 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.394 -3.248 0 N-CA-C 105.786 -1.931 . . . . 45.22 105.786 -173.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.2 170.13 50.56 Favored Glycine 0 C--O 1.221 -0.701 0 O-C-N 120.857 -1.152 . . . . 72.03 112.718 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -76.29 -17.71 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-O 122.965 1.364 . . . . 64.44 108.333 179.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -117.39 18.24 14.42 Favored 'General case' 0 C--O 1.194 -1.854 0 CA-C-N 114.769 -1.105 . . . . 74.3 110.263 -177.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -74.54 128.94 36.79 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.732 -0.667 . . . . 75.15 111.37 -174.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.16 119.05 21.72 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.379 -0.6 . . . . 64.14 109.379 -178.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -47.79 -41.63 23.94 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.789 0.662 . . . . 64.33 112.789 -178.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -73.54 -18.47 61.08 Favored 'General case' 0 C--O 1.221 -0.416 0 N-CA-C 115.098 1.518 . . . . 72.1 115.098 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -77.47 -26.51 51.43 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 108.748 -0.834 . . . . 62.02 108.748 -176.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -86.21 19.39 2.71 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.992 -0.549 . . . . 73.35 110.095 173.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.74 5.67 86.24 Favored Glycine 0 C--O 1.238 0.371 0 O-C-N 121.912 -0.492 . . . . 73.5 113.591 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.3 130.92 49.47 Favored Glycine 0 C--O 1.226 -0.386 0 CA-C-O 122.263 0.924 . . . . 44.22 112.635 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.8 m -128.48 169.64 14.1 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.365 -0.976 . . . . 45.1 108.365 -176.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.7 m -56.79 -31.76 64.97 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.528 0.936 . . . . 61.11 113.528 -178.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.12 -42.21 89.5 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.115 0.483 . . . . 44.02 110.491 176.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.4 mt -70.52 -29.83 66.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.148 -0.315 . . . . 64.31 110.148 177.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.19 -36.26 83.04 Favored 'General case' 0 C--O 1.2 -1.55 0 CA-C-O 121.196 0.522 . . . . 64.24 110.557 176.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.5 mmt -68.29 -38.17 81.4 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.659 -0.651 . . . . 65.4 110.473 176.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.1 -37.53 87.77 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 121.589 -0.694 . . . . 74.35 110.53 175.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.5 tp -62.28 -48.06 81.59 Favored 'General case' 0 C--O 1.209 -1.079 0 CA-C-O 121.263 0.554 . . . . 74.12 110.003 178.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 56.1 mt -59.79 -39.1 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.377 -0.374 . . . . 61.42 110.194 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.94 -41.57 92.13 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.509 -0.477 . . . . 63.23 109.96 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.2 tpt85 -71.71 -36.32 70.48 Favored 'General case' 0 C--O 1.255 1.346 0 CA-C-O 118.801 -0.619 . . . . 71.41 112.44 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.507 HD13 ' HG ' ' A' ' 59' ' ' LEU . 96.8 mt -58.85 -35.42 56.06 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.519 0 CA-C-N 119.204 0.911 . . . . 62.35 110.527 175.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -63.36 -31.94 73.23 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 122.001 -0.437 . . . . 62.01 111.765 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -74.68 -32.42 62.21 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 122.264 1.03 . . . . 64.33 108.723 -176.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -89.9 -52.68 4.85 Favored 'General case' 0 C--O 1.212 -0.885 0 N-CA-C 115.824 1.787 . . . . 72.42 115.824 -174.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 40.8 mt -96.62 -8.71 30.97 Favored 'General case' 0 C--O 1.211 -0.947 0 O-C-N 118.945 -2.347 . . . . 51.4 109.423 -172.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.85 23.49 77.9 Favored Glycine 0 N--CA 1.448 -0.534 0 O-C-N 125.645 1.841 . . . . 62.21 114.396 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.9 p -143.65 141.99 25.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 113.048 0.759 . . . . 61.22 113.048 -172.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.96 89.69 1.92 Allowed 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 109.3 -0.63 . . . . 73.45 109.3 175.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.507 ' HG ' HD13 ' A' ' 51' ' ' ILE . 3.0 tm? -69.13 125.06 91.66 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 108.566 -0.902 . . . . 74.53 108.566 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 59' ' ' LEU . 25.4 Cg_exo -66.49 141.56 61.75 Favored 'Trans proline' 0 CA--C 1.517 -0.346 0 C-N-CA 120.799 0.999 . . . . 71.41 113.685 -177.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.9 tt -63.98 -21.77 29.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 121.452 -0.78 . . . . 65.54 109.194 173.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 32.7 mtm180 -60.47 -37.89 82.45 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.895 -0.503 . . . . 75.11 111.114 175.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -40.02 82.75 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 108.993 -0.743 . . . . 72.04 108.993 -177.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 35.5 mt -65.03 -42.66 94.16 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 116.27 -0.423 . . . . 63.11 111.168 178.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -70.08 -29.76 66.82 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.669 -0.413 . . . . 73.22 111.831 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.7 m -71.74 -30.46 65.64 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.058 0.456 . . . . 54.25 111.173 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.8 m -154.83 95.04 2.65 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 109.189 -0.671 . . . . 44.03 109.189 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -78.83 32.89 0.46 Allowed 'Trans proline' 0 CA--C 1.536 0.622 0 N-CA-C 116.03 1.512 . . . . 52.34 116.03 -174.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.4 p -125.26 153.14 71.88 Favored Pre-proline 0 N--CA 1.474 0.755 0 N-CA-C 107.192 -1.41 . . . . 75.41 107.192 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -67.71 -33.06 28.82 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 114.473 -3.218 . . . . 74.1 113.932 -173.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.87 -29.48 58.54 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.652 0.739 . . . . 74.44 109.596 174.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.3 -41.32 94.69 Favored Glycine 0 C--O 1.225 -0.407 0 N-CA-C 111.015 -0.834 . . . . 41.21 111.015 178.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.3 t -59.89 -42.25 88.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 N-CA-C 110.055 -0.35 . . . . 75.23 110.055 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.33 -41.27 79.67 Favored 'General case' 0 CA--C 1.564 1.507 0 CA-C-O 121.658 0.742 . . . . 72.33 111.088 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -72.34 -38.28 68.66 Favored 'General case' 0 C--O 1.223 -0.333 0 O-C-N 120.678 -1.264 . . . . 60.41 110.497 177.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.63 -41.76 87.84 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.928 0.344 . . . . 74.12 111.928 -176.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.2 pp . . . . . 0 C--N 1.321 -0.659 0 N-CA-C 110.234 -0.284 . . . . 64.33 110.234 178.481 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.5 m . . . . . 0 CA--C 1.532 0.273 0 N-CA-C 112.333 0.494 . . . . 64.13 112.333 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.53 -44.1 84.87 Favored 'General case' 0 C--O 1.214 -0.813 0 N-CA-C 112.107 0.41 . . . . 72.43 112.107 -177.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -62.56 -33.46 74.98 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.48 0.548 . . . . 72.34 112.48 -176.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.2 t -72.44 -45.05 61.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 108.295 -1.002 . . . . 74.25 108.295 -178.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.2 mt -66.83 -40.87 88.15 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-N 115.418 -0.81 . . . . 70.21 111.897 -178.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t -62.4 -46.62 87.77 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.101 -1.074 . . . . 63.1 108.101 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.09 -41.82 97.17 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 119.38 -0.928 . . . . 73.35 111.115 -179.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 mp -61.0 -32.09 71.68 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.25 0.463 . . . . 65.11 112.25 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -63.06 -53.28 56.18 Favored 'General case' 0 C--O 1.21 -1.014 0 N-CA-C 108.943 -0.762 . . . . 72.1 108.943 177.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.02 -46.65 87.68 Favored 'General case' 0 CA--C 1.514 -0.41 0 O-C-N 122.381 -0.199 . . . . 64.45 111.371 -175.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.65 -36.48 83.96 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 113.115 0.783 . . . . 73.2 113.115 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.5 mt -83.29 -37.73 13.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 O-C-N 121.893 -0.505 . . . . 73.1 111.739 -178.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.8 mt -75.93 -25.08 55.63 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 122.341 0.256 . . . . 72.12 110.91 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.51 31.84 49.13 Favored Glycine 0 C--O 1.223 -0.559 0 C-N-CA 121.256 -0.497 . . . . 70.21 112.218 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.9 m -108.22 152.16 10.15 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.921 0 N-CA-C 109.644 -0.502 . . . . 75.01 109.644 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -62.15 -43.36 99.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.429 0.633 . . . . 74.41 112.421 -175.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.7 mtm180 -146.1 162.96 36.79 Favored 'General case' 0 CA--C 1.503 -0.827 0 N-CA-C 107.474 -1.306 . . . . 72.4 107.474 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.2 p -146.87 145.15 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.148 0 N-CA-C 106.125 -1.806 . . . . 74.34 106.125 -177.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.19 167.05 32.58 Favored Glycine 0 C--N 1.316 -0.55 0 O-C-N 121.95 -0.469 . . . . 63.41 112.873 177.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.8 m -74.74 -15.6 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 O-C-N 121.285 -1.126 . . . . 74.05 109.77 176.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -112.18 15.78 20.36 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.644 -1.162 . . . . 73.41 110.161 -177.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -83.37 122.1 28.03 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.112 -0.495 . . . . 72.55 111.269 -174.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.01 131.85 40.93 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.501 -0.926 . . . . 74.34 108.501 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -53.99 -36.5 63.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.349 0.595 . . . . 71.51 112.268 -178.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -81.13 -13.73 58.39 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.627 0.973 . . . . 73.12 113.627 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -74.5 -33.38 62.81 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.263 0.938 . . . . 70.44 109.318 -177.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -78.68 12.64 1.98 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.441 -0.8 . . . . 74.44 109.83 174.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.17 15.88 73.36 Favored Glycine 0 C--O 1.224 -0.505 0 C-N-CA 121.098 -0.572 . . . . 33.33 113.572 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.8 109.41 2.84 Favored Glycine 0 CA--C 1.524 0.609 0 C-N-CA 121.595 -0.336 . . . . 71.13 113.119 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.4 t -64.82 152.64 42.28 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 122.626 0.37 . . . . 72.11 111.506 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 m -62.71 -27.23 69.11 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.135 0.493 . . . . 51.42 110.697 175.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.93 -37.6 70.01 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 121.377 0.608 . . . . 65.3 110.094 175.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 42.2 tp -67.45 -30.2 69.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.067 -0.395 . . . . 62.24 110.451 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.23 -29.88 67.85 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-O 121.031 0.443 . . . . 64.24 111.762 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 62.9 mtt -65.04 -30.34 71.3 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 121.817 -0.552 . . . . 73.41 110.798 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -67.73 -38.93 84.2 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.669 -0.644 . . . . 74.21 110.221 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.9 tp -64.73 -46.49 82.04 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-N 115.574 -0.739 . . . . 65.21 109.368 -178.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.7 mt -61.75 -39.68 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 N-CA-C 109.79 -0.448 . . . . 74.34 109.79 178.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.81 -44.67 84.94 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.021 -0.424 . . . . 53.2 111.886 178.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -33.07 74.88 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.711 -0.618 . . . . 74.21 111.677 -178.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.5 mt -60.4 -33.55 54.54 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.401 0 O-C-N 123.453 0.47 . . . . 62.21 110.109 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -63.45 -32.31 73.71 Favored 'General case' 0 CA--C 1.499 -0.995 0 O-C-N 122.078 -0.389 . . . . 73.31 111.917 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -81.53 -38.09 26.76 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 108.152 -1.055 . . . . 65.03 108.152 -177.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -85.64 -37.94 18.92 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.063 0.764 . . . . 75.32 113.063 -170.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.5 mt -112.26 -6.07 14.11 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.207 0.527 . . . . 73.24 110.023 -174.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.27 23.91 76.17 Favored Glycine 0 C--O 1.222 -0.602 0 C-N-CA 120.229 -0.986 . . . . 73.3 113.888 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.6 p -138.19 144.4 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-N 118.113 0.956 . . . . 75.13 111.354 -174.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -77.19 116.38 17.77 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 108.68 -0.859 . . . . 73.3 108.68 174.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -75.83 118.39 70.68 Favored Pre-proline 0 C--N 1.329 -0.301 0 N-CA-C 108.723 -0.843 . . . . 65.41 108.723 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.47 ' HG2' HE21 ' A' ' 63' ' ' GLN . 27.6 Cg_exo -64.78 129.69 24.13 Favored 'Trans proline' 0 N--CA 1.478 0.566 0 C-N-CA 118.276 -0.683 . . . . 71.24 110.728 177.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.8 tt -62.4 -23.22 31.62 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 O-C-N 120.735 -1.228 . . . . 74.43 111.495 -178.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -66.57 -39.31 88.4 Favored 'General case' 0 C--O 1.22 -0.476 0 O-C-N 121.897 -0.502 . . . . 72.34 111.787 173.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.47 HE21 ' HG2' ' A' ' 60' ' ' PRO . 2.6 mp0 -60.38 -39.3 86.78 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 109.448 -0.575 . . . . 75.3 109.448 177.089 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 tp -70.39 -49.54 48.0 Favored 'General case' 0 C--O 1.215 -0.731 0 N-CA-C 112.614 0.598 . . . . 45.43 112.614 178.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -71.82 -30.01 65.04 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.734 0.642 . . . . 63.54 112.734 -174.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.9 t -76.1 -22.65 55.31 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 121.796 -0.565 . . . . 72.24 111.495 -178.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.8 p -153.12 79.27 5.67 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 108.372 -0.973 . . . . 62.31 108.372 -178.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -78.73 23.9 0.6 Allowed 'Trans proline' 0 CA--C 1.533 0.454 0 N-CA-C 117.376 2.029 . . . . 73.41 117.376 -170.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 55.5 p -106.67 154.03 40.31 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 106.874 -1.528 . . . . 74.25 106.874 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -67.93 -31.26 31.43 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 113.306 -3.996 . . . . 65.4 114.042 -173.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.59 -28.92 61.12 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.153 -0.619 . . . . 74.02 109.376 175.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.62 -50.8 40.29 Favored Glycine 0 C--O 1.226 -0.377 0 N-CA-C 109.709 -1.356 . . . . 54.31 109.709 179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.0 t -59.46 -35.94 61.66 Favored 'Isoleucine or valine' 0 C--O 1.257 1.488 0 N-CA-C 108.564 -0.902 . . . . 71.01 108.564 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.3 -49.07 73.23 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 112.823 0.675 . . . . 54.53 112.823 -177.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.9 ptt-85 -71.15 -33.56 70.16 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.702 -0.623 . . . . 73.23 112.144 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.16 -39.27 82.64 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.037 -0.529 . . . . 55.54 111.308 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 C--N 1.327 -0.374 0 O-C-N 121.922 -0.486 . . . . 55.24 110.503 179.754 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.227 -0.086 0 N-CA-C 112.266 0.469 . . . . 65.54 112.266 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.412 ' HG2' ' HA ' ' A' ' 71' ' ' ALA . 64.3 mt-10 -61.41 -40.39 94.22 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.352 0.501 . . . . 63.43 112.352 -173.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -65.53 -32.55 74.21 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.484 0.55 . . . . 74.54 112.484 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 75.4 t -75.24 -44.93 42.49 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 N-CA-C 108.614 -0.884 . . . . 72.11 108.614 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.0 mt -62.55 -38.92 91.9 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 116.253 -0.431 . . . . 73.33 110.586 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 17.7 t -58.72 -49.37 77.86 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.876 -0.787 . . . . 44.53 108.876 175.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.26 -36.95 85.69 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 113.054 0.761 . . . . 32.22 113.054 -178.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.0 -28.05 69.24 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 121.773 -0.58 . . . . 75.32 111.598 177.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -64.05 -47.49 79.97 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 119.491 1.041 . . . . 73.11 108.52 178.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.11 -33.67 75.95 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.365 0.506 . . . . 33.42 112.365 -177.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -61.84 -34.03 75.23 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.179 0.514 . . . . 74.15 112.038 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.3 mm -89.75 -36.69 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.357 0 CA-C-N 114.531 -1.213 . . . . 73.21 112.425 -174.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.2 mt -80.19 -27.09 38.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.855 -1.066 . . . . 73.24 112.575 -177.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.78 31.27 62.62 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 120.45 -0.881 . . . . 64.4 112.714 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.1 m -103.9 158.36 5.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.308 -0.627 . . . . 75.22 109.308 -178.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -61.49 -47.52 85.26 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.983 0.896 . . . . 75.11 111.223 -178.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -144.67 161.99 37.79 Favored 'General case' 0 CA--C 1.476 -1.879 0 CA-C-N 114.95 -1.023 . . . . 73.12 109.083 -178.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.4 p -147.4 145.87 18.74 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.118 0 N-CA-C 103.398 -2.816 . . . . 62.15 103.398 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.39 167.51 21.36 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.329 -0.708 . . . . 31.22 111.329 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -22.27 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 CA-C-O 122.163 0.982 . . . . 72.45 110.45 179.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -103.85 14.26 31.22 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 113.759 -1.564 . . . . 73.13 111.744 -177.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.89 130.89 35.27 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 114.401 1.26 . . . . 75.4 114.401 -171.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.8 115.79 16.9 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 120.786 -0.366 . . . . 73.0 110.323 -178.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -47.56 -44.51 26.18 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 114.091 1.145 . . . . 72.12 114.091 -177.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -73.96 -17.64 60.98 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 114.074 1.139 . . . . 75.4 114.074 -175.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -73.69 -34.08 64.7 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.524 0.678 . . . . 64.13 109.386 -178.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.86 17.3 1.21 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.302 -0.863 . . . . 75.25 110.753 176.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.91 18.62 69.52 Favored Glycine 0 C--O 1.236 0.271 0 C-N-CA 121.032 -0.604 . . . . 74.32 112.886 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.84 87.63 0.29 Allowed Glycine 0 CA--C 1.516 0.142 0 CA-C-O 122.213 0.896 . . . . 73.32 113.925 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.0 p -71.71 166.26 22.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.275 0.559 . . . . 42.24 110.872 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.2 p -61.18 -28.96 69.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.018 0.437 . . . . 74.14 110.799 176.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.41 -42.81 87.23 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.374 -0.375 . . . . 60.32 110.224 177.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.9 mt -68.05 -35.68 78.63 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.538 -0.171 . . . . 61.44 110.538 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.73 -37.34 70.84 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.077 0.399 . . . . 75.24 112.077 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.5 mmt -62.78 -33.02 74.31 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 112.228 0.455 . . . . 75.34 112.228 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -73.87 -33.61 64.14 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.813 -0.554 . . . . 74.12 109.641 178.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.97 -43.5 82.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.217 0.532 . . . . 73.2 109.982 178.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.09 -37.55 78.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.106 -0.701 . . . . 71.44 109.106 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.14 -43.66 86.43 Favored 'General case' 0 C--O 1.205 -1.237 0 C-N-CA 120.723 -0.391 . . . . 54.24 111.231 177.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -62.96 -41.26 99.47 Favored 'General case' 0 CA--C 1.493 -1.241 0 O-C-N 121.472 -0.767 . . . . 72.3 110.637 179.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.425 HG23 HD12 ' A' ' 55' ' ' LEU . 46.1 mt -56.37 -33.61 38.66 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 N-CA-C 113.02 0.748 . . . . 74.04 113.02 -179.355 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.8 mtm105 -65.71 -32.98 74.83 Favored 'General case' 0 C--O 1.196 -1.749 0 N-CA-C 113.876 1.065 . . . . 74.32 113.876 178.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -78.73 -37.41 41.43 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 107.898 -1.149 . . . . 75.22 107.898 -175.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -90.08 -48.49 7.16 Favored 'General case' 0 N--CA 1.435 -1.194 0 CA-C-N 114.328 -1.306 . . . . 64.52 111.958 -169.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.425 HD12 HG23 ' A' ' 51' ' ' ILE . 67.2 mt -98.76 -8.84 25.36 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 121.635 0.731 . . . . 73.53 111.512 -177.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.26 18.61 79.98 Favored Glycine 0 N--CA 1.466 0.646 0 N-CA-C 115.632 1.013 . . . . 74.33 115.632 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.9 m -143.33 155.2 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 117.79 0.795 . . . . 42.02 110.428 -176.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -82.91 122.07 27.78 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.56 -0.904 . . . . 71.15 108.56 175.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -69.1 121.89 83.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 107.9 -1.148 . . . . 75.04 107.9 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.76 111.24 1.64 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 O-C-N 121.896 0.419 . . . . 75.34 111.45 177.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.7 tt -58.85 -24.39 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-O 121.079 0.466 . . . . 74.35 112.217 -177.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.43 -39.73 88.5 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.609 -0.682 . . . . 73.25 110.88 174.225 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -77.08 -30.82 55.64 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.722 -0.474 . . . . 74.34 109.722 -177.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.0 tp -64.85 -47.34 78.27 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-O 121.144 0.497 . . . . 52.14 110.574 177.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -73.63 -25.57 60.36 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.069 -0.653 . . . . 74.04 111.994 -179.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.4 m -75.69 -24.58 56.29 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.855 0.359 . . . . 70.44 110.79 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.9 m -147.73 87.68 5.84 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 108.742 -0.836 . . . . 71.04 108.742 -178.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -75.62 8.61 2.57 Favored 'Trans proline' 0 N--CA 1.475 0.413 0 N-CA-C 115.624 1.356 . . . . 43.14 115.624 -174.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 65.6 p -98.12 149.22 35.51 Favored Pre-proline 0 C--N 1.327 -0.385 0 N-CA-C 108.95 -0.759 . . . . 61.31 108.95 177.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.05 -30.29 32.36 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 116.257 -2.029 . . . . 72.51 113.544 -175.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.412 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . . . -77.4 -29.98 53.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.56 -0.713 . . . . 64.23 110.552 173.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.61 -47.09 58.7 Favored Glycine 0 CA--C 1.501 -0.823 0 N-CA-C 110.562 -1.015 . . . . 71.14 110.562 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.2 p -64.49 -35.1 73.5 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.373 0 N-CA-C 109.202 -0.666 . . . . 64.41 109.202 -177.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.19 97.09 Favored 'General case' 0 C--O 1.212 -0.873 0 O-C-N 123.45 0.469 . . . . 74.04 111.281 177.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -74.63 -33.19 62.51 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.387 -0.369 . . . . 72.34 110.508 -178.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.99 -41.12 78.27 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 112.21 0.448 . . . . 72.34 112.21 178.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.2 pp . . . . . 0 C--O 1.219 -0.505 0 O-C-N 121.853 -0.529 . . . . 51.12 110.637 177.514 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.462 0.168 0 N-CA-C 114.347 1.24 . . . . 73.12 114.347 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -40.13 93.26 Favored 'General case' 0 C--O 1.202 -1.415 0 N-CA-C 114.174 1.176 . . . . 53.2 114.174 -173.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -69.11 -30.95 69.34 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 120.614 -0.434 . . . . 74.42 111.167 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.3 t -70.52 -44.03 77.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 107.511 -1.292 . . . . 63.04 107.511 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.6 mt -63.26 -43.09 98.96 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.131 -0.94 . . . . 74.14 110.901 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -45.03 88.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.608 -0.269 . . . . 74.31 111.175 177.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.43 -41.95 83.94 Favored 'General case' 0 C--O 1.212 -0.889 0 C-N-CA 120.459 -0.497 . . . . 71.24 111.438 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.409 HD22 ' HB3' ' A' ' 50' ' ' ARG . 45.3 mt -64.47 -29.93 70.97 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 121.967 -0.458 . . . . 65.54 111.766 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -59.42 -46.0 89.95 Favored 'General case' 0 C--O 1.247 0.953 0 N-CA-C 108.339 -0.986 . . . . 75.14 108.339 174.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.06 -43.21 99.23 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 113.013 0.745 . . . . 51.31 113.013 -179.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -60.03 -33.37 71.92 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 112.626 0.602 . . . . 73.54 112.626 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.2 mm -90.7 -37.36 9.3 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 N-CA-C 114.134 1.161 . . . . 63.02 114.134 -177.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.4 mt -88.48 -23.96 23.1 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 122.869 0.468 . . . . 74.11 112.007 -175.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.83 25.95 65.96 Favored Glycine 0 C--O 1.224 -0.516 0 C-N-CA 121.408 -0.425 . . . . 74.4 113.124 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.1 m -97.91 152.69 4.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.992 0.425 . . . . 70.31 109.897 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -69.53 -29.65 67.3 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 114.499 1.296 . . . . 54.43 114.499 -173.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 35.3 ptt85 -149.07 166.17 29.53 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.639 -0.71 . . . . 74.03 111.186 177.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.4 t -137.17 137.16 46.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 107.827 -1.175 . . . . 72.11 107.827 177.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.88 166.51 13.54 Favored Glycine 0 C--O 1.218 -0.903 0 N-CA-C 110.04 -1.224 . . . . 72.31 110.04 175.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 30.2 m -64.97 -22.81 32.16 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.481 0 CA-C-N 118.145 0.972 . . . . 71.11 113.061 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -108.25 15.03 24.46 Favored 'General case' 0 C--O 1.212 -0.896 0 CA-C-O 121.7 0.762 . . . . 73.35 112.66 -178.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.65 113.3 18.75 Favored 'General case' 0 N--CA 1.443 -0.797 0 O-C-N 121.007 -1.058 . . . . 74.2 111.157 -174.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.9 120.92 22.7 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-O 121.643 0.735 . . . . 53.55 110.9 -175.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -46.6 -42.8 16.67 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 114.806 -1.088 . . . . 75.31 113.331 -178.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -74.2 -21.53 59.77 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.397 1.258 . . . . 54.03 114.397 -176.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -85.96 -19.44 30.42 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 109.106 -0.702 . . . . 71.32 109.106 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.0 mt -89.32 20.21 3.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.068 -0.969 . . . . 53.42 110.386 175.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.08 4.24 72.05 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 115.586 0.994 . . . . 63.23 115.586 177.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.48 151.76 51.63 Favored Glycine 0 C--O 1.219 -0.823 0 CA-C-O 122.127 0.848 . . . . 71.2 113.475 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.1 t -141.55 164.92 28.92 Favored 'General case' 0 CA--C 1.5 -0.943 0 N-CA-C 107.175 -1.417 . . . . 63.43 107.175 -177.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.1 m -61.0 -29.04 69.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.945 0.403 . . . . 54.35 110.029 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.53 -41.46 98.48 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.045 0.45 . . . . 72.0 110.585 176.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.6 mt -79.21 -27.74 42.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.174 -0.466 . . . . 74.03 110.373 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.96 -37.76 83.52 Favored 'General case' 0 C--O 1.204 -1.302 0 N-CA-C 109.52 -0.548 . . . . 42.02 109.52 178.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.4 mmt -64.15 -33.84 76.71 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 122.161 -0.337 . . . . 72.11 111.356 177.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -70.82 -37.34 73.2 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 122.068 -0.395 . . . . 75.51 110.861 176.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 52.2 tp -62.95 -46.42 87.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.725 0.774 . . . . 75.44 109.42 178.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.7 mt -62.2 -38.04 80.03 Favored 'Isoleucine or valine' 0 C--N 1.343 0.286 0 N-CA-C 109.382 -0.599 . . . . 73.4 109.382 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.61 -42.67 99.72 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 120.137 -0.625 . . . . 75.41 111.062 178.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.409 ' HB3' HD22 ' A' ' 18' ' ' LEU . 6.8 mmt85 -66.57 -32.1 73.22 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 121.123 0.487 . . . . 73.31 111.543 178.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.6 mt -66.42 -31.06 51.89 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.356 0 N-CA-C 108.485 -0.931 . . . . 55.32 108.485 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -66.37 -28.53 68.72 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 118.334 0.516 . . . . 72.2 111.931 175.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -77.93 -40.25 40.19 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 107.979 -1.119 . . . . 75.31 107.979 -178.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -88.18 -40.31 13.81 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 115.822 1.786 . . . . 54.14 115.822 -173.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.9 mt -109.33 -5.92 15.68 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-O 121.14 0.495 . . . . 65.4 109.776 -175.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.7 16.55 76.13 Favored Glycine 0 N--CA 1.465 0.614 0 N-CA-C 115.042 0.777 . . . . 54.32 115.042 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 30.6 m -140.83 157.16 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 117.464 0.632 . . . . 71.51 111.171 -176.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.57 108.98 20.28 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.447 -0.575 . . . . 74.11 109.447 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.513 HD22 ' HD2' ' A' ' 60' ' ' PRO . 1.0 OUTLIER -65.59 120.44 68.35 Favored Pre-proline 0 CA--C 1.539 0.541 0 N-CA-C 108.906 -0.776 . . . . 63.44 108.906 177.724 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.513 ' HD2' HD22 ' A' ' 59' ' ' LEU . 9.6 Cg_endo -60.8 125.74 17.96 Favored 'Trans proline' 0 CA--C 1.471 -2.642 0 CA-C-N 119.307 0.788 . . . . 72.24 112.498 175.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.9 tt -60.19 -21.38 22.26 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 CA-C-O 122.06 0.933 . . . . 60.42 113.446 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -61.28 -36.17 79.32 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-O 122.271 1.034 . . . . 65.03 111.709 176.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.21 -36.98 61.33 Favored 'General case' 0 N--CA 1.394 -3.243 0 CA-C-N 113.433 -1.712 . . . . 74.22 110.787 -175.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.8 tp -64.42 -42.34 96.09 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.678 -0.692 . . . . 71.1 112.578 172.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -70.76 -31.5 68.33 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.633 -0.667 . . . . 74.01 111.936 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.3 m -74.3 -26.38 60.14 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.095 0.474 . . . . 54.41 110.863 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.2 m -149.28 91.04 4.55 Favored Pre-proline 0 C--O 1.219 -0.551 0 N-CA-C 109.211 -0.663 . . . . 53.25 109.211 -178.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -77.52 1.17 9.06 Favored 'Trans proline' 0 C--O 1.216 -0.577 0 N-CA-C 116.766 1.795 . . . . 72.23 116.766 -174.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 72.2 p -92.98 154.2 41.81 Favored Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 108.975 -0.75 . . . . 51.1 108.975 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -67.5 -33.05 30.23 Favored 'Trans proline' 0 CA--C 1.535 0.534 0 C-N-CA 115.842 -2.305 . . . . 70.34 113.983 -177.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.24 -32.84 63.14 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 121.595 -0.691 . . . . 71.31 109.891 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.76 -48.0 58.01 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 110.665 -0.974 . . . . 62.03 110.665 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.1 p -68.31 -27.47 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.563 0 C-N-CA 119.736 -0.785 . . . . 61.44 110.326 -177.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.58 -48.35 69.86 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-O 121.789 0.804 . . . . 43.33 110.426 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -70.84 -33.34 70.56 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.138 -0.976 . . . . 65.44 110.232 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.0 89.74 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 112.192 0.441 . . . . 63.45 112.192 178.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 pp . . . . . 0 C--N 1.324 -0.54 0 C-N-CA 120.323 -0.551 . . . . 65.23 110.303 -179.6 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.222 -0.375 0 N-CA-C 113.006 0.743 . . . . 62.22 113.006 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -63.62 -41.27 98.31 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.646 -0.252 . . . . 54.31 111.334 -171.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -68.01 -30.89 70.24 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 120.486 -0.486 . . . . 70.24 112.105 178.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.3 t -70.04 -46.06 74.23 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.568 0 N-CA-C 107.377 -1.342 . . . . 72.14 107.377 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -63.64 -38.76 92.35 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.46 -0.336 . . . . 70.23 111.358 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.0 m -57.43 -47.98 80.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.907 0.384 . . . . 64.14 110.463 174.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.68 -35.28 78.54 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.342 -0.849 . . . . 70.42 111.337 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.478 HD22 ' HG2' ' A' ' 50' ' ' ARG . 25.6 mt -65.7 -32.91 74.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.199 -0.313 . . . . 74.11 111.021 179.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -63.32 -49.38 74.2 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 106.938 -1.504 . . . . 74.13 106.938 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.51 -47.78 78.59 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.358 0.599 . . . . 73.5 111.989 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.432 ' HB3' HH12 ' A' ' 50' ' ' ARG . 39.9 mm-40 -60.39 -34.69 74.27 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.506 0.928 . . . . 73.32 113.506 -177.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.9 mt -92.33 -37.87 9.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 112.726 0.639 . . . . 60.04 112.726 -173.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.0 mt -85.77 -24.87 26.68 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 123.259 0.624 . . . . 71.33 111.643 -176.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.32 33.78 31.06 Favored Glycine 0 C--O 1.225 -0.445 0 C-N-CA 120.667 -0.778 . . . . 63.51 112.931 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 m -108.07 147.82 12.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-O 120.995 0.426 . . . . 73.15 110.039 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -72.44 -26.68 61.93 Favored 'General case' 0 CA--C 1.503 -0.863 0 N-CA-C 114.539 1.311 . . . . 75.14 114.539 -175.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.2 tpt85 -143.95 158.7 43.53 Favored 'General case' 0 N--CA 1.438 -1.059 0 O-C-N 121.877 -0.514 . . . . 72.32 109.852 -177.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.2 t -148.09 133.82 11.64 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.309 0 N-CA-C 106.989 -1.485 . . . . 74.33 106.989 175.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.39 171.16 31.96 Favored Glycine 0 C--N 1.342 0.906 0 N-CA-C 110.782 -0.927 . . . . 74.32 110.782 175.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.43 -22.91 20.82 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.846 0 C-N-CA 119.883 -0.727 . . . . 71.34 109.229 179.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -107.95 15.89 23.97 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-N 114.593 -1.185 . . . . 71.12 112.134 -176.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.98 126.9 31.03 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 112.659 0.615 . . . . 63.25 112.659 -175.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.96 116.12 18.22 Favored 'General case' 0 C--O 1.211 -0.951 0 CA-C-O 121.561 0.696 . . . . 74.14 109.258 -177.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -51.77 -40.91 61.14 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 115.431 -0.804 . . . . 72.1 111.657 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -76.25 -22.93 54.57 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.565 0.95 . . . . 73.1 113.565 -177.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -77.18 -31.3 55.3 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 107.566 -1.272 . . . . 72.12 107.566 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.7 mt -76.17 11.89 1.35 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.759 -1.109 . . . . 44.32 111.275 173.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.47 4.72 76.43 Favored Glycine 0 N--CA 1.464 0.552 0 CA-C-O 122.466 1.037 . . . . 51.32 115.37 177.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.73 83.1 0.29 Allowed Glycine 0 CA--C 1.529 0.945 0 N-CA-C 115.329 0.892 . . . . 50.3 115.329 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 50.4 m -66.48 161.93 21.75 Favored 'General case' 0 C--O 1.218 -0.557 0 O-C-N 122.671 -0.311 . . . . 42.44 110.848 176.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.3 m -58.79 -29.45 66.83 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.338 0.866 . . . . 74.33 113.338 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.18 -37.89 75.26 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.267 0.556 . . . . 70.14 110.258 176.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.9 tp -70.35 -29.32 65.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.414 0.626 . . . . 72.12 109.541 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.35 -30.07 66.45 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-O 122.002 0.906 . . . . 71.23 112.751 175.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 95.6 mtp -62.98 -35.18 79.33 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 120.829 -1.169 . . . . 74.25 110.048 178.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 ttm-85 -68.39 -36.28 78.91 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.476 -0.765 . . . . 75.31 109.549 177.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 53.2 tp -64.02 -47.42 80.33 Favored 'General case' 0 C--O 1.219 -0.553 0 N-CA-C 109.816 -0.438 . . . . 64.14 109.816 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.7 mt -60.51 -40.09 83.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.907 -0.588 . . . . 44.51 110.217 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.64 94.1 Favored 'General case' 0 C--O 1.213 -0.849 0 C-N-CA 121.308 -0.157 . . . . 74.0 110.927 178.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.478 ' HG2' HD22 ' A' ' 18' ' ' LEU . 8.2 tpt180 -67.48 -34.36 76.99 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 123.521 0.513 . . . . 70.52 109.831 -176.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.6 mt -63.4 -27.67 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.291 0 N-CA-C 108.832 -0.803 . . . . 62.33 108.832 -175.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -63.0 -33.05 74.6 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-O 121.232 0.539 . . . . 75.02 112.287 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -80.43 -37.17 32.57 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.133 -1.062 . . . . 65.43 108.133 -174.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.431 ' HG3' HD21 ' A' ' 18' ' ' LEU . 72.2 mm-40 -82.75 -38.9 22.6 Favored 'General case' 0 C--O 1.188 -2.157 0 N-CA-C 114.475 1.287 . . . . 74.22 114.475 -174.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 mt -117.18 -2.16 11.71 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 113.618 0.97 . . . . 70.3 113.618 -171.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.29 26.14 74.33 Favored Glycine 0 C--O 1.219 -0.828 0 CA-C-N 115.79 -0.641 . . . . 61.44 111.77 178.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.9 p -145.13 148.26 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 O-C-N 122.148 -0.619 . . . . 75.51 111.349 -171.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -92.75 117.81 30.4 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.017 -1.105 . . . . 70.15 108.017 174.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.3 tp -64.71 125.04 88.0 Favored Pre-proline 0 C--N 1.321 -0.633 0 C-N-CA 120.175 -0.61 . . . . 71.53 110.845 -177.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.67 120.1 7.29 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 118.275 -0.683 . . . . 64.44 111.035 172.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.2 tt -63.82 -23.24 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 O-C-N 121.685 -0.634 . . . . 73.13 112.006 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.2 mtp85 -63.39 -34.38 77.6 Favored 'General case' 0 CA--C 1.503 -0.855 0 CA-C-O 119.247 -0.406 . . . . 73.23 110.153 174.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -37.63 69.87 Favored 'General case' 0 C--O 1.206 -1.21 0 CA-C-N 119.704 1.138 . . . . 52.13 108.847 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.4 tp -64.96 -45.42 85.77 Favored 'General case' 0 C--O 1.213 -0.867 0 C-N-CA 120.578 -0.449 . . . . 63.12 111.448 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.0 m-30 -70.46 -26.86 63.84 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.393 -0.523 . . . . 72.34 112.118 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.7 t -78.29 -26.11 46.9 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.358 0.599 . . . . 73.33 111.156 178.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.3 m -148.89 87.96 5.31 Favored Pre-proline 0 N--CA 1.449 -0.493 0 N-CA-C 108.45 -0.944 . . . . 71.21 108.45 -177.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -78.73 24.98 0.56 Allowed 'Trans proline' 0 N--CA 1.48 0.685 0 C-N-CA 122.041 1.827 . . . . 70.34 116.113 -175.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.4 p -117.38 153.77 50.22 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 108.661 -0.866 . . . . 72.24 108.661 178.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.95 -28.15 24.67 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 115.841 -2.306 . . . . 60.03 112.608 -174.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.2 -37.07 46.4 Favored 'General case' 0 N--CA 1.439 -0.994 0 C-N-CA 119.439 -0.905 . . . . 54.51 112.063 173.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.39 -43.57 87.2 Favored Glycine 0 C--N 1.308 -1.018 0 C-N-CA 119.348 -1.406 . . . . 52.32 109.882 -175.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.45 -33.66 65.2 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 113.752 1.019 . . . . 74.25 113.752 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.57 -41.27 96.39 Favored 'General case' 0 C--O 1.209 -1.038 0 O-C-N 121.588 -0.695 . . . . 74.12 110.853 178.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -76.47 -37.02 57.54 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 124.9 2.286 . . . . 63.23 108.591 -173.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.6 -43.85 95.74 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 111.76 -2.473 . . . . 74.33 110.529 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.5 pp . . . . . 0 C--O 1.212 -0.889 0 O-C-N 121.285 -0.884 . . . . 74.54 111.125 176.473 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.207 -1.173 0 CA-C-O 121.146 0.498 . . . . 75.44 111.351 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -62.45 -35.14 78.36 Favored 'General case' 0 CA--C 1.49 -1.334 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.544 -178.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.98 -35.79 69.61 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-O 121.596 0.712 . . . . 73.33 111.609 -175.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.2 t -65.86 -43.83 92.97 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.314 0 N-CA-C 105.858 -1.904 . . . . 75.54 105.858 177.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.2 mt -64.57 -39.27 93.43 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 115.752 -0.658 . . . . 63.34 112.096 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 66.6 m -58.68 -46.29 87.56 Favored 'General case' 0 C--O 1.214 -0.767 0 N-CA-C 112.434 0.531 . . . . 55.31 112.434 176.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.69 -36.63 78.74 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.343 -0.848 . . . . 71.14 110.712 -179.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mp -70.49 -30.47 67.27 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.95 -0.389 . . . . 73.33 109.95 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -63.3 -46.21 87.78 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 106.415 -1.698 . . . . 74.34 106.415 174.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.25 92.15 Favored 'General case' 0 N--CA 1.435 -1.175 0 N-CA-C 116.009 1.855 . . . . 53.42 116.009 -178.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -73.35 -27.47 61.51 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 120.725 -1.234 . . . . 73.23 111.794 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.7 mm -87.58 -37.95 11.43 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.844 0 N-CA-C 113.284 0.846 . . . . 73.23 113.284 -178.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.1 mt -84.07 -23.91 30.62 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.044 -1.095 . . . . 71.31 108.044 -177.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.91 19.78 77.07 Favored Glycine 0 C--O 1.241 0.539 0 CA-C-O 118.701 -1.055 . . . . 73.13 112.49 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.5 m -90.98 162.77 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.713 0 CA-C-N 117.721 0.76 . . . . 44.43 109.648 -177.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.26 -26.38 39.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.266 0.555 . . . . 75.52 112.475 -174.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -148.76 155.06 40.44 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 113.124 0.787 . . . . 71.11 113.124 -176.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.9 t -138.79 130.2 35.77 Favored 'Isoleucine or valine' 0 C--O 1.258 1.548 0 O-C-N 123.903 0.752 . . . . 71.5 109.896 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.12 164.86 34.0 Favored Glycine 0 CA--C 1.541 1.664 0 C-N-CA 120.798 -0.715 . . . . 74.31 111.429 172.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -70.15 -18.25 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 O-C-N 121.046 -1.267 . . . . 72.5 110.877 177.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -114.13 17.08 17.94 Favored 'General case' 0 C--O 1.206 -1.206 0 N-CA-C 109.117 -0.698 . . . . 40.54 109.117 -174.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.89 126.36 33.42 Favored 'General case' 0 C--O 1.244 0.767 0 C-N-CA 120.176 -0.61 . . . . 65.54 111.23 -175.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.401 ' HB3' ' HB2' ' A' ' 36' ' ' ASP . . . -79.12 134.76 36.72 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-O 122.225 1.012 . . . . 65.33 109.12 -177.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -56.46 -38.53 71.78 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 115.799 -0.637 . . . . 75.24 111.751 -178.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -79.79 -18.94 49.75 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.756 1.021 . . . . 74.31 113.756 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.401 ' HB2' ' HB3' ' A' ' 33' ' ' ALA . 37.7 t0 -75.92 -34.81 59.92 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 107.104 -1.443 . . . . 71.54 107.104 -178.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.4 mt -79.75 20.62 0.58 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.559 -1.2 . . . . 72.44 113.466 174.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.29 6.9 68.15 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 114.524 0.57 . . . . 65.25 114.524 175.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.45 169.55 54.09 Favored Glycine 0 C--O 1.214 -1.149 0 C-N-CA 120.079 -1.057 . . . . 60.14 114.56 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 88.3 p -144.86 166.3 25.66 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.587 -0.523 . . . . 74.31 109.587 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.7 m -59.97 -32.0 70.41 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.983 0.734 . . . . 73.11 112.983 177.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.89 -42.46 66.76 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 123.673 0.608 . . . . 45.35 110.532 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.2 tp -66.22 -32.05 73.25 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 121.676 0.751 . . . . 75.53 109.994 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.97 -29.05 66.9 Favored 'General case' 0 C--O 1.191 -1.986 0 CA-C-O 121.456 0.646 . . . . 72.03 111.167 -178.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 59.9 mtt -64.79 -28.24 69.43 Favored 'General case' 0 C--O 1.212 -0.914 0 O-C-N 121.729 -0.607 . . . . 75.13 111.356 178.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -76.08 -37.94 57.62 Favored 'General case' 0 C--O 1.249 1.031 0 N-CA-C 108.458 -0.942 . . . . 64.34 108.458 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 34.8 tp -61.58 -46.94 87.76 Favored 'General case' 0 C--O 1.225 -0.185 0 O-C-N 123.921 0.763 . . . . 65.31 109.146 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.404 ' HA ' HD12 ' A' ' 51' ' ' ILE . 74.6 mt -59.94 -37.97 74.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-O 121.11 0.481 . . . . 73.45 109.919 -179.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.81 -42.91 94.51 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.445 -0.784 . . . . 73.3 111.382 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -68.77 -32.08 71.58 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 114.341 1.237 . . . . 44.45 114.341 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.407 HG21 ' HB2' ' A' ' 59' ' ' LEU . 97.9 mt -60.51 -33.62 55.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 N-CA-C 109.021 -0.733 . . . . 71.45 109.021 178.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -64.77 -33.09 75.16 Favored 'General case' 0 C--O 1.204 -1.318 0 O-C-N 121.301 -0.874 . . . . 74.01 112.354 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -80.37 -35.98 34.61 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 107.96 -1.126 . . . . 72.41 107.96 -175.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -84.63 -47.61 10.33 Favored 'General case' 0 C--O 1.204 -1.313 0 CA-C-N 115.233 -0.894 . . . . 52.43 111.941 -173.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 65.1 mt -106.9 -1.93 21.84 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 118.577 0.626 . . . . 75.34 110.902 -171.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.71 24.34 74.07 Favored Glycine 0 CA--C 1.502 -0.769 0 CA-C-N 115.309 -0.86 . . . . 74.3 113.234 176.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.5 m -139.18 146.31 26.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 117.976 0.888 . . . . 75.52 112.044 -177.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -86.58 89.01 7.77 Favored 'General case' 0 C--O 1.251 1.133 0 CA-C-O 121.709 0.766 . . . . 52.4 109.049 176.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.407 ' HB2' HG21 ' A' ' 51' ' ' ILE . 1.4 tt -64.95 124.05 85.52 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-N 114.859 -1.064 . . . . 63.01 110.672 -174.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -62.75 132.76 38.83 Favored 'Trans proline' 0 C--O 1.218 -0.49 0 C-N-CA 120.889 1.06 . . . . 73.4 113.884 -178.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.2 tt -63.28 -21.64 28.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-O 121.727 0.775 . . . . 71.45 109.887 175.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -63.27 -33.47 75.58 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 118.708 -0.663 . . . . 74.34 111.826 174.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -73.73 -39.16 64.48 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-N 118.234 0.47 . . . . 63.23 111.166 177.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.77 -40.25 94.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.078 0.466 . . . . 72.23 112.041 176.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -75.25 -20.7 59.05 Favored 'General case' 0 C--O 1.214 -0.796 0 C-N-CA 119.376 -0.929 . . . . 75.04 110.637 178.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.4 t -73.91 -34.73 64.49 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.853 -1.165 . . . . 61.23 107.853 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.3 t -156.35 110.35 2.05 Favored Pre-proline 0 C--N 1.318 -0.765 0 N-CA-C 108.154 -1.054 . . . . 71.33 108.154 178.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -83.26 0.94 9.32 Favored 'Trans proline' 0 C--O 1.216 -0.575 0 N-CA-C 117.478 2.069 . . . . 72.43 117.478 -174.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 71.6 p -92.17 155.65 42.63 Favored Pre-proline 0 C--N 1.316 -0.855 0 CA-C-N 118.527 0.603 . . . . 70.01 109.739 -177.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.61 -32.29 24.61 Favored 'Trans proline' 0 C--O 1.248 0.997 0 C-N-CA 115.81 -2.327 . . . . 52.43 112.812 -174.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.86 -31.03 51.21 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-O 122.065 0.936 . . . . 63.52 109.054 177.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -71.42 -40.63 59.85 Favored Glycine 0 C--O 1.25 1.096 0 C-N-CA 120.879 -0.677 . . . . 63.44 113.938 -177.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.6 p -68.31 -31.08 49.96 Favored 'Isoleucine or valine' 0 C--O 1.25 1.107 0 N-CA-C 109.083 -0.71 . . . . 61.35 109.083 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.18 96.43 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.302 0.572 . . . . 55.52 110.537 176.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.3 mtp-105 -72.57 -35.95 68.08 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 121.172 -0.955 . . . . 75.45 111.478 177.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.3 -42.81 99.08 Favored 'General case' 0 C--N 1.333 -0.115 0 N-CA-C 112.865 0.691 . . . . 61.35 112.865 -178.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--O 1.236 0.373 0 N-CA-C 109.01 -0.737 . . . . 74.52 109.01 -178.221 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.474 0.763 0 CA-C-O 121.252 0.548 . . . . 53.31 111.232 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.423 ' HG2' ' HA ' ' A' ' 71' ' ' ALA . 80.7 mt-10 -59.18 -36.89 76.12 Favored 'General case' 0 C--O 1.192 -1.969 0 CA-C-N 115.896 -0.593 . . . . 64.52 112.019 -177.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.419 ' H ' ' HG2' ' A' ' 13' ' ' LYS . 34.1 mmtt -74.22 -31.74 62.73 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 112.421 0.526 . . . . 65.42 112.421 -170.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.5 t -68.26 -47.21 79.05 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 N-CA-C 107.118 -1.438 . . . . 64.25 107.118 174.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.6 mt -60.84 -38.52 85.8 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 112.341 0.497 . . . . 74.13 112.341 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.5 m -58.41 -46.03 87.25 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.258 -0.276 . . . . 73.51 111.323 175.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.65 -37.64 85.22 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.234 -0.917 . . . . 61.15 110.516 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mp -62.98 -35.94 81.86 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.644 -0.707 . . . . 72.42 109.878 178.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -61.05 -43.95 98.12 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 107.775 -1.195 . . . . 74.21 107.775 178.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.0 93.68 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 113.915 1.08 . . . . 53.13 113.915 -176.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -62.61 -35.57 79.98 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-O 121.868 0.842 . . . . 73.41 112.194 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.8 mm -86.97 -38.01 11.79 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 CA-C-N 115.052 -0.976 . . . . 72.43 112.975 -175.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.6 mt -88.36 -26.47 22.19 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 113.54 0.941 . . . . 71.15 113.54 -176.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.57 31.33 41.27 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.838 -0.696 . . . . 73.11 113.121 -178.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 m -106.48 151.87 8.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 109.215 -0.661 . . . . 73.33 109.215 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -70.8 -37.01 73.25 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.945 1.461 . . . . 72.1 114.945 -175.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.2 mtt-85 -135.79 155.87 49.68 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 115.672 -0.695 . . . . 74.24 109.621 -176.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.7 t -134.18 131.15 55.23 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.9 0 O-C-N 124.478 1.111 . . . . 71.44 109.443 178.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.506 ' H ' ' CG ' ' A' ' 32' ' ' ASP . . . -91.73 169.85 33.0 Favored Glycine 0 CA--C 1.528 0.86 0 N-CA-C 110.269 -1.132 . . . . 51.32 110.269 176.072 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -21.02 17.41 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.545 0 CA-C-O 121.772 0.796 . . . . 74.04 110.117 178.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -101.7 10.55 39.96 Favored 'General case' 0 C--O 1.206 -1.186 0 CA-C-N 114.207 -1.361 . . . . 72.41 112.584 -175.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.506 ' CG ' ' H ' ' A' ' 29' ' ' GLY . 2.7 m-20 -69.81 118.44 12.67 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.805 -0.56 . . . . 61.3 111.239 -170.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.03 115.09 21.7 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 108.019 -1.104 . . . . 64.15 108.019 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -48.74 -43.61 37.68 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 113.532 0.938 . . . . 71.32 113.532 -173.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -74.18 -20.74 60.1 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 114.144 1.165 . . . . 64.14 114.144 -177.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -78.14 -29.46 48.8 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.692 0.758 . . . . 74.32 109.044 -178.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.403 HD11 ' HB3' ' A' ' 32' ' ' ASP . 1.2 mt -81.35 18.56 1.11 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.289 -0.869 . . . . 70.21 110.993 177.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.78 7.48 81.26 Favored Glycine 0 CA--C 1.516 0.129 0 C-N-CA 121.363 -0.446 . . . . 50.22 113.013 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.98 145.38 47.89 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-O 121.925 0.736 . . . . 63.21 112.377 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.0 p -128.22 168.91 14.79 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.726 -0.842 . . . . 75.22 108.726 -178.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.2 p -61.41 -32.8 72.76 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.067 -0.346 . . . . 71.23 110.067 177.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.53 -43.41 85.26 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 120.848 0.356 . . . . 73.34 110.505 177.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.4 mt -68.51 -32.0 71.65 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 122.294 -0.254 . . . . 62.13 110.488 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.66 -34.12 75.17 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-O 121.517 0.675 . . . . 61.32 111.237 177.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 67.1 mtm -65.22 -35.54 81.38 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 120.705 -1.247 . . . . 60.34 110.723 175.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -74.13 -31.91 62.94 Favored 'General case' 0 C--O 1.207 -1.132 0 O-C-N 121.304 -0.873 . . . . 71.5 109.47 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.3 tp -63.37 -48.1 79.34 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 107.427 -1.323 . . . . 64.25 107.427 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.6 mt -60.17 -38.19 76.18 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.798 0 CA-C-N 115.622 -0.717 . . . . 50.05 109.688 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.81 -40.95 98.96 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 120.148 -0.621 . . . . 72.13 110.348 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.25 -39.12 92.24 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.151 0.426 . . . . 64.43 112.151 178.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.456 HD13 HD13 ' A' ' 59' ' ' LEU . 96.8 mt -59.03 -33.77 51.15 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.146 0 N-CA-C 113.195 0.813 . . . . 74.43 113.195 177.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -61.26 -32.28 72.09 Favored 'General case' 0 C--O 1.206 -1.186 0 O-C-N 120.456 -1.403 . . . . 74.2 111.481 -178.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -80.06 -33.98 38.52 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-O 123.264 1.507 . . . . 73.51 107.733 -171.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -96.29 -43.53 7.65 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 113.415 -1.72 . . . . 74.13 112.956 -169.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.6 mt -102.57 -9.26 20.3 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.009 -1.057 . . . . 74.42 110.515 -177.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.79 17.7 79.61 Favored Glycine 0 C--N 1.354 1.559 0 CA-C-N 114.953 -1.021 . . . . 61.52 115.515 176.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.9 m -144.15 153.46 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 117.469 0.635 . . . . 72.22 111.452 -177.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -86.03 103.4 14.68 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.222 -1.029 . . . . 74.42 108.222 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.456 HD13 HD13 ' A' ' 51' ' ' ILE . 1.3 tt -61.91 127.34 89.0 Favored Pre-proline 0 C--N 1.324 -0.543 0 C-N-CA 120.23 -0.588 . . . . 64.44 109.595 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -64.19 128.89 22.7 Favored 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 118.479 -0.547 . . . . 74.44 110.874 176.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.0 tt -59.58 -23.53 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 CA-C-O 121.768 0.794 . . . . 70.24 110.15 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -58.65 -31.75 68.43 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.425 -0.807 . . . . 61.3 112.126 175.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -75.02 -39.75 60.94 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.167 -1.049 . . . . 65.21 108.167 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.96 -37.98 89.44 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-O 121.023 0.44 . . . . 74.21 110.893 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -71.25 -28.63 64.31 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.378 -0.529 . . . . 75.3 111.2 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.0 t -78.59 -28.47 45.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.128 0.49 . . . . 72.43 110.791 178.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.0 m -152.26 99.66 2.85 Favored Pre-proline 0 C--N 1.328 -0.353 0 N-CA-C 108.497 -0.927 . . . . 53.21 108.497 -177.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -79.98 8.9 3.8 Favored 'Trans proline' 0 C--N 1.345 0.359 0 N-CA-C 115.688 1.38 . . . . 74.45 115.688 -176.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 71.8 p -105.1 151.81 39.58 Favored Pre-proline 0 CA--C 1.511 -0.535 0 CA-C-N 118.126 0.421 . . . . 72.32 110.925 -178.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -67.9 -32.82 28.13 Favored 'Trans proline' 0 C--O 1.248 0.996 0 C-N-CA 116.652 -1.765 . . . . 73.23 113.139 -176.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.423 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . . . -78.61 -31.46 47.05 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 118.71 -1.196 . . . . 65.33 110.783 177.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -71.22 -42.93 56.89 Favored Glycine 0 CA--C 1.496 -1.096 0 C-N-CA 118.843 -1.646 . . . . 51.32 111.064 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.8 p -65.09 -36.04 76.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 C-N-CA 120.336 -0.546 . . . . 51.13 110.15 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.8 97.64 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 123.006 0.523 . . . . 70.31 110.719 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.1 mtp85 -75.42 -34.61 61.03 Favored 'General case' 0 C--N 1.315 -0.902 0 O-C-N 122.075 -0.391 . . . . 62.54 110.796 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.26 -49.25 70.3 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 111.745 0.276 . . . . 65.41 111.745 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 CA--C 1.507 -0.696 0 C-N-CA 120.825 -0.35 . . . . 72.05 111.898 177.667 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.215 -0.737 0 N-CA-C 112.381 0.512 . . . . 75.32 112.381 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -60.09 -40.27 89.0 Favored 'General case' 0 CA--C 1.492 -1.262 0 CA-C-N 116.297 -0.41 . . . . 62.21 110.391 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -66.3 -39.62 89.47 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 120.179 -0.608 . . . . 72.01 111.277 -175.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.2 t -67.65 -52.75 37.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-O 121.495 0.664 . . . . 73.31 110.898 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 pp -72.58 -26.21 61.63 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 119.318 -0.953 . . . . 72.54 112.483 -175.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.7 t -67.12 -41.57 85.95 Favored 'General case' 0 C--O 1.194 -1.867 0 N-CA-C 109.83 -0.433 . . . . 74.43 109.83 175.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.57 84.11 Favored 'General case' 0 C--O 1.25 1.088 0 N-CA-C 108.269 -1.012 . . . . 62.21 108.269 178.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tp -68.54 -29.36 67.92 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.359 -0.837 . . . . 73.53 111.407 -178.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -60.75 -44.2 97.01 Favored 'General case' 0 C--O 1.211 -0.956 0 N-CA-C 107.377 -1.342 . . . . 72.23 107.377 175.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.09 91.38 Favored 'General case' 0 N--CA 1.427 -1.585 0 N-CA-C 112.352 0.501 . . . . 74.23 112.352 -175.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -78.73 -28.29 44.94 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 114.455 1.28 . . . . 73.41 114.455 -177.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.4 mm -82.26 -33.09 11.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 CA-C-O 121.458 0.646 . . . . 74.14 111.362 -178.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.2 mt -89.08 -26.37 21.41 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 115.335 -0.848 . . . . 72.51 109.774 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.13 28.58 58.12 Favored Glycine 0 C--O 1.24 0.482 0 CA-C-O 119.642 -0.532 . . . . 73.14 113.268 179.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.2 m -101.04 158.55 4.06 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.501 0 N-CA-C 112.768 0.655 . . . . 74.01 112.768 -176.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.6 -36.66 84.39 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.948 0.88 . . . . 64.53 112.495 -175.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -146.56 157.42 43.73 Favored 'General case' 0 C--O 1.255 1.391 0 C-N-CA 123.734 0.813 . . . . 71.34 109.19 -176.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 p -147.64 137.54 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.31 0 N-CA-C 103.621 -2.733 . . . . 54.02 103.621 171.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.596 ' H ' ' HB2' ' A' ' 32' ' ' ASP . . . -104.19 169.02 17.15 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 108.124 -1.99 . . . . 70.21 108.124 178.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.451 ' HA ' ' HG2' ' A' ' 70' ' ' PRO . 0.1 OUTLIER -67.84 -21.48 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 CA-C-N 117.552 0.676 . . . . 74.2 110.131 178.7 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -105.64 12.31 31.27 Favored 'General case' 0 C--O 1.196 -1.754 0 CA-C-O 121.912 0.863 . . . . 73.11 111.441 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.596 ' HB2' ' H ' ' A' ' 29' ' ' GLY . 3.4 t0 -88.2 139.07 30.88 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.859 -1.151 . . . . 65.15 112.484 -173.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.79 134.18 34.32 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 120.452 -1.405 . . . . 71.33 110.311 -173.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -55.02 -33.97 63.1 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-N 116.07 -0.513 . . . . 75.04 111.052 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -85.99 -16.22 39.0 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 114.903 1.445 . . . . 62.22 114.903 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -76.57 -34.92 58.45 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 106.066 -1.827 . . . . 70.44 106.066 178.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.8 mt -78.09 15.45 0.91 Allowed 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 113.926 -1.488 . . . . 74.24 113.104 178.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.82 22.3 66.68 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 115.164 0.825 . . . . 63.41 115.164 176.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.87 157.25 42.66 Favored Glycine 0 C--O 1.212 -1.24 0 N-CA-C 116.721 1.448 . . . . 22.31 116.721 -178.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.9 m -132.07 160.97 34.38 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 122.97 0.508 . . . . 72.24 111.618 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.5 p -60.91 -35.09 75.78 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 121.87 -0.518 . . . . 74.01 112.322 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.73 -39.46 93.67 Favored 'General case' 0 C--O 1.244 0.782 0 O-C-N 123.256 0.348 . . . . 62.23 110.535 177.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.9 mt -73.28 -27.66 61.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.858 -0.61 . . . . 63.4 110.24 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.99 97.71 Favored 'General case' 0 C--O 1.194 -1.831 0 O-C-N 121.224 -0.922 . . . . 53.33 109.909 176.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 15.1 mmt -65.8 -34.38 78.03 Favored 'General case' 0 C--O 1.19 -2.039 0 O-C-N 121.71 -0.619 . . . . 71.44 110.635 177.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -40.64 77.97 Favored 'General case' 0 C--O 1.27 2.168 0 N-CA-C 112.838 0.681 . . . . 63.45 112.838 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 36.9 tp -60.82 -49.0 79.24 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.813 0.845 . . . . 71.32 109.487 173.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 67.7 mt -59.02 -41.35 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-O 121.319 0.58 . . . . 41.12 109.793 -179.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.55 -37.03 85.54 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.59 -0.694 . . . . 63.51 112.558 178.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.9 tpt85 -68.96 -35.02 76.27 Favored 'General case' 0 C--O 1.183 -2.437 0 CA-C-O 120.861 0.362 . . . . 74.32 110.225 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.8 mt -62.08 -27.64 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.403 -2.784 0 CA-C-O 121.753 0.787 . . . . 74.22 109.645 -176.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -68.54 -30.63 69.47 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.848 -0.615 . . . . 74.1 111.421 179.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -79.05 -34.45 43.75 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.043 -1.095 . . . . 61.41 108.043 -178.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -82.69 -48.96 10.29 Favored 'General case' 0 C--O 1.208 -1.112 0 N-CA-C 114.515 1.302 . . . . 75.41 114.515 -176.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.3 mt -110.59 -4.79 15.27 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.711 0.634 . . . . 53.41 112.711 -170.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.93 25.7 73.2 Favored Glycine 0 CA--C 1.502 -0.755 0 CA-C-N 114.901 -1.045 . . . . 71.25 113.503 178.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.4 m -140.51 156.39 23.62 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.354 0 O-C-N 121.783 -0.834 . . . . 73.14 109.306 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -92.54 111.38 22.95 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 109.454 -0.573 . . . . 60.42 109.454 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.1 tp -65.95 120.28 67.95 Favored Pre-proline 0 CA--C 1.543 0.711 0 N-CA-C 109.489 -0.56 . . . . 75.32 109.489 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.79 124.09 13.05 Favored 'Trans proline' 0 CA--C 1.518 -0.304 0 N-CA-C 110.583 -0.583 . . . . 64.34 110.583 176.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.9 tt -60.85 -23.18 28.58 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.95 0 CA-C-O 121.405 0.621 . . . . 71.32 111.509 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -35.73 81.83 Favored 'General case' 0 C--O 1.198 -1.607 0 O-C-N 121.445 -0.784 . . . . 71.53 111.203 177.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -70.07 -39.43 75.65 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 121.474 0.654 . . . . 74.03 109.598 179.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.2 tp -63.43 -41.99 98.68 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.604 -0.726 . . . . 72.2 111.568 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -71.22 -30.07 65.91 Favored 'General case' 0 C--O 1.202 -1.426 0 C-N-CA 119.846 -0.742 . . . . 74.21 110.79 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.3 t -74.83 -25.53 59.07 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 122.147 -0.346 . . . . 74.05 110.793 -177.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.1 m -152.32 92.24 3.51 Favored Pre-proline 0 C--N 1.31 -1.112 0 N-CA-C 106.976 -1.49 . . . . 73.34 106.976 -178.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -76.94 3.97 6.14 Favored 'Trans proline' 0 C--O 1.216 -0.581 0 N-CA-C 115.829 1.434 . . . . 71.04 115.829 -178.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.9 p -93.92 150.11 38.04 Favored Pre-proline 0 C--O 1.242 0.691 0 N-CA-C 108.394 -0.965 . . . . 61.13 108.394 178.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.451 ' HG2' ' HA ' ' A' ' 30' ' ' VAL . 63.4 Cg_endo -65.83 -34.78 38.58 Favored 'Trans proline' 0 C--O 1.248 1.023 0 C-N-CA 116.795 -1.67 . . . . 73.01 113.577 -175.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.39 -26.26 59.99 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.959 0.885 . . . . 71.21 110.93 178.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -75.03 -47.99 12.25 Favored Glycine 0 N--CA 1.438 -1.2 0 CA-C-O 118.713 -1.048 . . . . 73.52 112.32 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.6 p -66.18 -32.66 59.11 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.574 0 CA-C-N 117.945 0.872 . . . . 73.42 110.271 -178.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.69 -48.42 79.35 Favored 'General case' 0 C--O 1.204 -1.296 0 N-CA-C 113.837 1.051 . . . . 53.21 113.837 176.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.9 ptp180 -73.08 -31.3 64.29 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 119.651 -0.82 . . . . 62.44 109.778 -177.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.89 -46.08 89.52 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 112.662 0.616 . . . . 71.33 112.662 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 N--CA 1.469 0.514 0 CA-C-N 116.045 -0.525 . . . . 72.24 110.045 179.427 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.5 m . . . . . 0 CA--C 1.542 0.648 0 CA-C-O 122.596 1.189 . . . . 71.25 111.903 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.2 mp0 -62.29 -39.66 93.7 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 114.685 -1.143 . . . . 64.24 112.154 -174.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -66.88 -32.29 73.46 Favored 'General case' 0 C--O 1.21 -0.992 0 N-CA-C 113.252 0.834 . . . . 74.14 113.252 -178.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.2 t -69.8 -42.94 80.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 107.03 -1.47 . . . . 74.21 107.03 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.6 mt -64.37 -39.35 93.71 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.446 -0.797 . . . . 51.32 111.636 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 47.5 m -62.09 -44.98 95.48 Favored 'General case' 0 C--O 1.209 -1.054 0 N-CA-C 111.796 0.295 . . . . 65.43 111.796 175.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.23 96.82 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 120.905 -1.122 . . . . 72.01 109.639 -178.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mp -65.45 -32.38 73.97 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-O 120.992 0.425 . . . . 71.11 111.12 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -63.52 -45.39 90.83 Favored 'General case' 0 C--O 1.203 -1.387 0 N-CA-C 108.348 -0.982 . . . . 73.13 108.348 174.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.52 -41.29 97.1 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 121.403 0.621 . . . . 62.52 112.66 -177.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.87 -42.21 97.59 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 123.131 0.572 . . . . 73.32 111.852 -177.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.8 mt -88.21 -35.74 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 120.531 -0.468 . . . . 44.22 111.917 -172.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.0 mt -83.97 -20.66 32.47 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 123.7 0.625 . . . . 71.11 110.337 -177.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.19 31.31 52.75 Favored Glycine 0 CA--C 1.498 -0.978 0 CA-C-O 119.283 -0.732 . . . . 71.23 113.929 176.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -110.43 153.46 12.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 CA-C-O 120.943 0.402 . . . . 65.4 110.308 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -71.38 -31.76 67.69 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 114.388 1.255 . . . . 65.04 114.388 -174.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -140.4 154.46 46.71 Favored 'General case' 0 CA--C 1.5 -0.978 0 N-CA-C 109.664 -0.495 . . . . 71.11 109.664 -177.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 56.4 t -134.01 126.36 50.05 Favored 'Isoleucine or valine' 0 C--O 1.245 0.839 0 O-C-N 124.865 1.353 . . . . 54.44 109.845 176.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.5 158.74 34.32 Favored Glycine 0 C--N 1.336 0.576 0 N-CA-C 110.499 -1.04 . . . . 75.24 110.499 174.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.4 m -65.68 -14.14 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 O-C-N 121.234 -1.156 . . . . 64.21 111.982 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -119.11 15.15 13.22 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 116.531 -0.304 . . . . 74.31 111.436 -175.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -74.01 126.72 31.11 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 119.516 -0.874 . . . . 63.13 110.54 -176.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.65 128.13 33.05 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 108.449 -0.945 . . . . 62.52 108.449 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -52.13 -38.86 58.86 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.776 -0.647 . . . . 73.51 112.429 -176.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -78.48 -15.94 58.07 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 115.85 1.796 . . . . 75.04 115.85 -178.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -79.8 -31.76 40.72 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 107.021 -1.474 . . . . 63.14 107.021 -179.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 mp -84.62 21.14 1.57 Allowed 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 113.903 -1.498 . . . . 74.43 111.122 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.59 4.08 73.71 Favored Glycine 0 N--CA 1.459 0.17 0 N-CA-C 115.211 0.844 . . . . 75.15 115.211 178.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.22 157.0 53.52 Favored Glycine 0 C--O 1.251 1.171 0 CA-C-O 122.962 1.312 . . . . 45.45 115.085 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 75.9 p -142.76 174.86 10.28 Favored 'General case' 0 C--O 1.213 -0.832 0 N-CA-C 108.281 -1.007 . . . . 63.55 108.281 -176.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.7 p -65.24 -29.06 69.82 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 122.208 -0.307 . . . . 64.52 111.316 174.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.7 -40.27 69.62 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-O 121.12 0.486 . . . . 62.44 109.728 177.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.7 mt -74.91 -24.53 58.53 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 121.633 -0.667 . . . . 72.22 110.133 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.77 -30.88 71.91 Favored 'General case' 0 C--O 1.202 -1.399 0 O-C-N 121.341 -0.849 . . . . 72.32 109.683 175.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 60.5 mtt -68.6 -33.97 74.98 Favored 'General case' 0 C--O 1.219 -0.503 0 O-C-N 121.18 -0.95 . . . . 64.14 110.081 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -70.72 -40.9 72.54 Favored 'General case' 0 C--O 1.241 0.658 0 N-CA-C 108.356 -0.979 . . . . 73.33 108.356 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.4 tp -60.45 -50.09 74.96 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 124.101 0.875 . . . . 63.12 110.465 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.8 mt -60.96 -40.49 85.64 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.804 0 N-CA-C 109.709 -0.478 . . . . 71.11 109.709 -177.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.5 -41.18 96.59 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 122.357 -0.214 . . . . 73.54 111.224 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -66.59 -33.13 74.99 Favored 'General case' 0 C--O 1.189 -2.108 0 CA-C-O 121.444 0.64 . . . . 72.21 111.4 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.6 mt -65.23 -26.27 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.4 -2.965 0 CA-C-N 115.861 -0.609 . . . . 75.01 109.785 -175.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -67.71 -32.78 73.66 Favored 'General case' 0 C--O 1.205 -1.278 0 C-N-CA 119.87 -0.732 . . . . 73.32 111.387 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -74.13 -40.54 62.57 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 107.408 -1.331 . . . . 73.21 107.408 -176.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -83.37 -46.64 12.33 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 115.412 1.634 . . . . 51.45 115.412 -173.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.3 mt -105.57 -8.21 18.13 Favored 'General case' 0 CA--C 1.504 -0.803 0 O-C-N 121.404 -0.81 . . . . 63.13 111.415 -173.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.74 27.21 73.53 Favored Glycine 0 C--O 1.246 0.849 0 CA-C-O 118.349 -1.251 . . . . 73.2 112.609 178.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 33.6 m -141.02 157.25 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 CA-C-N 118.553 1.177 . . . . 43.14 111.719 -178.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -86.45 101.72 13.41 Favored 'General case' 0 C--O 1.218 -0.558 0 C-N-CA 123.735 0.814 . . . . 70.33 111.018 177.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -62.46 117.6 32.55 Favored Pre-proline 0 C--O 1.239 0.545 0 C-N-CA 120.726 -0.39 . . . . 74.44 110.463 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -65.67 117.53 4.7 Favored 'Trans proline' 0 C--N 1.35 0.616 0 N-CA-C 113.672 0.605 . . . . 71.2 113.672 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 17.8 tt -59.38 -26.84 35.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-O 121.598 0.713 . . . . 71.53 112.522 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -67.39 -33.72 75.78 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 121.513 -0.742 . . . . 74.44 111.07 176.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -39.03 63.57 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 108.458 -0.941 . . . . 54.04 108.458 177.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 27.2 tp -60.04 -44.2 94.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.847 -0.615 . . . . 72.22 110.756 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.1 m-30 -73.25 -26.68 61.21 Favored 'General case' 0 C--N 1.319 -0.725 0 O-C-N 121.684 -0.635 . . . . 72.32 111.793 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.6 m -74.98 -25.99 59.25 Favored 'General case' 0 N--CA 1.48 1.075 0 O-C-N 122.032 -0.418 . . . . 73.23 111.058 177.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.4 p -153.46 88.53 3.68 Favored Pre-proline 0 CA--C 1.547 0.854 0 N-CA-C 107.995 -1.113 . . . . 63.55 107.995 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -81.3 35.41 0.58 Allowed 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.604 2.203 . . . . 74.53 114.161 -174.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.4 p -120.39 153.76 56.2 Favored Pre-proline 0 N--CA 1.447 -0.588 0 N-CA-C 106.299 -1.741 . . . . 75.52 106.299 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.82 -38.3 10.31 Favored 'Trans proline' 0 C--O 1.213 -0.73 0 C-N-CA 115.86 -2.293 . . . . 60.43 113.829 -172.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.19 -21.42 42.99 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 120.88 -1.138 . . . . 62.11 111.45 177.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.69 -46.94 28.77 Favored Glycine 0 C--O 1.223 -0.545 0 C-N-CA 121.271 -0.49 . . . . 72.41 111.887 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.4 p -64.56 -36.26 76.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.193 -0.669 . . . . 72.15 109.193 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.53 -49.53 77.41 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 121.694 0.759 . . . . 54.43 111.851 179.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.3 mtt85 -69.42 -36.63 76.89 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 121.381 -0.824 . . . . 44.34 110.298 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.06 -33.6 75.86 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 113.0 0.741 . . . . 72.01 113.0 -176.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.0 pp . . . . . 0 N--CA 1.472 0.626 0 O-C-N 123.529 0.518 . . . . 75.23 111.916 178.017 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.217 -0.609 0 N-CA-C 109.276 -0.638 . . . . 64.12 109.276 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -54.17 -46.94 72.47 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 112.97 0.73 . . . . 73.4 112.97 -176.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -68.8 -24.96 64.46 Favored 'General case' 0 C--O 1.27 2.154 0 N-CA-C 113.169 0.803 . . . . 74.44 113.169 -173.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.7 t -76.72 -49.17 24.47 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 N-CA-C 107.197 -1.408 . . . . 62.02 107.197 177.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.3 mt -58.15 -42.88 86.86 Favored 'General case' 0 C--O 1.214 -0.794 0 N-CA-C 108.4 -0.963 . . . . 72.52 108.4 -175.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -47.16 86.77 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.558 0.694 . . . . 75.2 112.637 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.91 -43.5 79.11 Favored 'General case' 0 C--O 1.201 -1.453 0 N-CA-C 108.11 -1.07 . . . . 73.11 108.11 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.36 -31.87 73.14 Favored 'General case' 0 CA--C 1.564 1.501 0 O-C-N 121.071 -1.018 . . . . 62.44 110.8 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -60.36 -45.53 93.14 Favored 'General case' 0 C--O 1.201 -1.495 0 N-CA-C 104.905 -2.257 . . . . 64.54 104.905 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.81 -47.22 85.54 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-O 119.208 -0.425 . . . . 64.32 111.256 -178.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -62.83 -35.11 78.86 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 123.347 1.546 . . . . 64.33 113.731 -174.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.9 mm -88.01 -40.14 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.053 0 CA-C-N 114.157 -1.383 . . . . 73.31 111.445 -175.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.0 mt -81.76 -24.35 36.09 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 124.605 1.191 . . . . 64.35 110.183 -178.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.49 29.04 60.44 Favored Glycine 0 C--O 1.217 -0.951 0 C-N-CA 120.205 -0.998 . . . . 73.3 112.543 176.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.9 m -101.19 154.98 4.62 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.156 0 CA-C-O 122.015 0.912 . . . . 75.35 111.044 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -68.52 -32.15 71.9 Favored 'General case' 0 N--CA 1.512 2.627 0 N-CA-C 113.05 0.759 . . . . 61.34 113.05 -172.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -150.38 156.79 42.16 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 109.014 -0.736 . . . . 72.31 109.014 -175.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.9 t -140.0 126.28 22.25 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.203 0 O-C-N 125.516 1.76 . . . . 34.33 111.887 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.49 164.89 30.8 Favored Glycine 0 CA--C 1.537 1.413 0 N-CA-C 108.127 -1.989 . . . . 71.42 108.127 178.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.7 m -62.01 -25.21 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 O-C-N 121.947 -0.737 . . . . 51.34 111.705 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -110.42 18.93 19.31 Favored 'General case' 0 C--O 1.197 -1.674 0 N-CA-C 114.843 1.423 . . . . 74.44 114.843 -178.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.52 134.33 35.2 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 119.399 -0.92 . . . . 72.44 108.999 -177.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.71 127.88 33.84 Favored 'General case' 0 CA--C 1.554 1.108 0 O-C-N 121.194 -0.941 . . . . 62.31 112.009 -176.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -53.53 -45.26 69.73 Favored 'General case' 0 C--N 1.311 -1.069 0 O-C-N 120.519 -1.363 . . . . 53.31 112.755 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -73.74 -22.6 59.83 Favored 'General case' 0 C--O 1.208 -1.088 0 N-CA-C 112.667 0.617 . . . . 60.21 112.667 -177.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -75.85 -28.63 58.3 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 123.779 1.752 . . . . 72.2 108.362 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 mp -87.77 12.6 12.49 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 113.501 -1.681 . . . . 72.15 112.712 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.4 26.31 16.09 Favored Glycine 0 N--CA 1.48 1.569 0 CA-C-O 123.516 1.62 . . . . 72.14 113.722 178.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -77.18 167.9 54.42 Favored Glycine 0 C--O 1.246 0.875 0 O-C-N 120.626 -1.514 . . . . 65.31 114.758 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.0 t -152.22 162.57 40.95 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 112.68 -1.76 . . . . 44.22 109.159 177.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.74 -29.5 64.59 Favored 'General case' 0 C--O 1.251 1.154 0 N-CA-C 112.804 0.668 . . . . 61.41 112.804 176.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.29 -40.32 81.81 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 122.477 1.132 . . . . 74.31 109.542 172.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.1 tp -71.28 -31.57 67.63 Favored 'General case' 0 C--N 1.31 -1.136 0 O-C-N 121.619 -0.676 . . . . 75.11 111.196 -177.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.0 -25.06 63.32 Favored 'General case' 0 CA--C 1.559 1.307 0 N-CA-C 113.005 0.743 . . . . 64.15 113.005 176.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 65.7 mtt -64.68 -33.83 76.88 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 122.784 1.278 . . . . 71.31 108.439 -178.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -71.11 -39.06 72.29 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-N 114.302 -1.317 . . . . 73.35 110.262 -178.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 32.8 tp -61.6 -48.72 79.66 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-N 115.363 -0.835 . . . . 71.32 109.113 175.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.2 mt -58.36 -37.8 65.68 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.866 0 N-CA-C 113.396 0.888 . . . . 53.41 113.396 177.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.78 -38.02 79.73 Favored 'General case' 0 C--O 1.211 -0.951 0 C-N-CA 120.412 -0.515 . . . . 70.24 110.653 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -70.68 -33.76 71.26 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 121.15 -0.22 . . . . 73.23 110.964 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 55.5 mt -60.69 -29.56 45.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 O-C-N 124.003 0.815 . . . . 75.32 113.151 174.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.3 mtt180 -64.78 -29.89 70.88 Favored 'General case' 0 C--O 1.204 -1.333 0 C-N-CA 118.84 -1.144 . . . . 73.41 111.983 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -79.64 -35.06 39.9 Favored 'General case' 0 C--O 1.196 -1.733 0 N-CA-C 108.055 -1.091 . . . . 71.42 108.055 -178.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -87.42 -44.54 11.27 Favored 'General case' 0 C--O 1.204 -1.295 0 N-CA-C 117.066 2.247 . . . . 63.34 117.066 -174.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.5 mt -107.77 -4.27 18.28 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 108.731 -0.84 . . . . 54.23 108.731 -174.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.56 28.86 73.59 Favored Glycine 0 C--N 1.295 -1.724 0 CA-C-N 113.242 -1.799 . . . . 72.41 115.968 175.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.6 m -149.98 159.0 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 N-CA-C 108.095 -1.076 . . . . 63.13 108.095 -178.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -83.05 115.0 21.67 Favored 'General case' 0 C--N 1.308 -1.204 0 O-C-N 123.552 0.532 . . . . 73.25 110.129 169.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -64.0 124.84 86.5 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 113.489 0.922 . . . . 75.15 113.489 -178.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -66.94 123.8 11.44 Favored 'Trans proline' 0 N--CA 1.484 0.966 0 C-N-CA 115.253 -2.698 . . . . 73.24 113.245 177.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.9 tt -64.55 -19.79 25.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 113.0 0.741 . . . . 52.33 113.0 -175.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -65.55 -41.69 92.7 Favored 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 120.353 -0.539 . . . . 70.51 109.982 178.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -67.19 -41.95 85.0 Favored 'General case' 0 CA--C 1.494 -1.203 0 CA-C-O 122.528 1.156 . . . . 64.13 110.598 -178.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.53 -50.26 74.24 Favored 'General case' 0 C--O 1.211 -0.973 0 CA-C-N 114.327 -1.306 . . . . 73.15 109.602 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -68.71 -34.43 75.63 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 119.91 -1.744 . . . . 64.45 110.135 -175.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.0 m -70.93 -21.55 62.35 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 113.475 0.917 . . . . 61.41 113.475 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.8 m -145.93 80.32 10.5 Favored Pre-proline 0 N--CA 1.481 1.08 0 N-CA-C 109.305 -0.628 . . . . 54.43 109.305 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -76.07 30.64 0.39 Allowed 'Trans proline' 0 C--O 1.253 1.268 0 N-CA-C 118.175 2.337 . . . . 61.23 118.175 -173.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.5 p -117.28 153.37 49.97 Favored Pre-proline 0 C--O 1.205 -1.282 0 N-CA-C 105.617 -1.994 . . . . 72.3 105.617 176.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -66.18 -33.69 39.17 Favored 'Trans proline' 0 CA--C 1.559 1.736 0 C-N-CA 116.354 -1.964 . . . . 64.22 114.697 -176.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.67 -25.19 49.36 Favored 'General case' 0 C--O 1.255 1.39 0 CA-C-O 122.454 1.121 . . . . 73.3 112.515 173.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.48 -45.23 91.03 Favored Glycine 0 C--O 1.219 -0.81 0 CA-C-N 113.024 -1.898 . . . . 70.53 109.16 176.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.8 t -58.19 -43.3 85.39 Favored 'Isoleucine or valine' 0 C--O 1.258 1.54 0 N-CA-C 108.926 -0.768 . . . . 70.53 108.926 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.82 -39.57 85.53 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.582 -0.735 . . . . 55.23 111.025 -175.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.3 mmm-85 -80.41 -41.37 24.68 Favored 'General case' 0 C--O 1.212 -0.913 0 CA-C-O 123.068 1.413 . . . . 74.22 110.465 -176.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.08 -39.9 87.67 Favored 'General case' 0 C--O 1.21 -1.014 0 CA-C-N 114.787 -1.097 . . . . 73.35 110.916 -177.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 pp . . . . . 0 CA--C 1.549 0.935 0 O-C-N 119.601 -1.937 . . . . 72.21 109.441 177.668 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.79 0 CA-C-O 118.398 -1.223 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.51 163.82 36.05 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 96.2 mtp -78.91 150.17 32.2 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 123.38 0.425 . . . . 0.0 109.914 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.96 154.16 33.85 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 176.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -68.78 156.79 37.68 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 176.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.16 137.61 95.76 Favored Pre-proline 0 CA--C 1.539 0.523 0 N-CA-C 106.635 -1.617 . . . . 0.0 106.635 174.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -78.25 161.15 29.19 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 117.826 -0.983 . . . . 0.0 114.18 -176.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.1 mp0 -81.71 104.0 11.8 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 106.641 -1.614 . . . . 0.0 106.641 171.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.6 m -84.35 -179.6 7.22 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.125 0.488 . . . . 0.0 111.61 -175.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.37 -33.57 75.82 Favored 'General case' 0 CA--C 1.536 0.414 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -177.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.9 m -56.78 -45.29 82.22 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.353 0.597 . . . . 0.0 112.053 -176.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -58.57 -34.93 71.62 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.752 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.7 mmtp -71.07 -38.78 72.47 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 119.418 -0.325 . . . . 0.0 111.152 -177.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.6 t -67.1 -43.95 88.4 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.861 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.7 mt -62.95 -41.35 99.49 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.415 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 57.0 m -57.3 -46.82 82.8 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.598 0.237 . . . . 0.0 111.043 174.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.41 -37.01 79.93 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 121.387 -0.82 . . . . 0.0 111.141 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 43.8 mt -66.24 -32.93 74.65 Favored 'General case' 0 C--O 1.214 -0.785 0 O-C-N 121.858 -0.526 . . . . 0.0 111.215 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -59.85 -47.67 84.78 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 174.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.72 -35.89 79.35 Favored 'General case' 0 C--O 1.215 -0.748 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -176.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -65.65 -35.64 81.37 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 121.485 0.659 . . . . 0.0 111.919 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.3 mm -85.83 -33.62 7.71 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.077 0 CA-C-O 122.462 1.125 . . . . 0.0 112.441 -174.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.8 mt -93.92 -25.07 17.45 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 114.231 1.196 . . . . 0.0 114.231 -175.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.72 32.55 57.09 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 120.296 -0.954 . . . . 0.0 113.759 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.8 m -105.83 154.59 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -179.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -64.55 -44.87 89.41 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.604 0.716 . . . . 0.0 111.827 -177.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 87.7 mtt-85 -139.21 157.3 46.17 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.581 -174.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.4 t -136.18 123.23 32.95 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.092 0 O-C-N 127.491 2.994 . . . . 0.0 107.51 175.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.38 168.74 54.04 Favored Glycine 0 CA--C 1.528 0.876 0 N-CA-C 108.989 -1.644 . . . . 0.0 108.989 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -69.45 -20.96 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 121.205 -1.174 . . . . 0.0 111.126 178.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -115.67 20.4 14.67 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 -177.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.87 126.64 30.88 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 120.16 -0.616 . . . . 0.0 111.88 -174.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.87 115.79 17.89 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.21 0.528 . . . . 0.0 110.804 -176.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -49.78 -41.58 44.65 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.859 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 12.2 p-80 -72.31 -26.25 61.87 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -176.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -84.75 -22.96 29.46 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 -177.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 29.9 mt -79.23 11.57 2.8 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.731 174.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.17 4.16 66.91 Favored Glycine 0 C--N 1.331 0.29 0 CA-C-O 121.359 0.422 . . . . 0.0 114.124 178.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.71 147.38 48.22 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-O 122.486 1.048 . . . . 0.0 115.066 -178.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 79.6 p -137.98 170.29 16.31 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.6 m -61.98 -29.51 70.31 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.05 0.452 . . . . 0.0 111.203 177.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.32 -34.76 78.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.528 178.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 82.9 mt -83.97 -34.24 24.44 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.768 0.318 . . . . 0.0 110.733 176.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.18 -36.8 75.97 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.6 ptt? -69.5 -27.24 65.02 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 121.228 -0.92 . . . . 0.0 111.998 178.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -75.98 -31.59 59.06 Favored 'General case' 0 C--O 1.218 -0.596 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 177.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.6 tp -67.46 -46.41 73.12 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 69.2 mt -59.8 -41.66 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.003 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.44 -45.2 94.52 Favored 'General case' 0 C--O 1.206 -1.204 0 C-N-CA 120.329 -0.548 . . . . 0.0 111.293 179.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 -64.24 -34.89 79.14 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 121.322 -0.861 . . . . 0.0 111.607 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.1 mt -61.99 -32.38 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.775 0 CA-C-O 121.353 0.597 . . . . 0.0 110.938 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 63.4 mtp180 -68.83 -30.25 68.76 Favored 'General case' 0 CA--C 1.503 -0.84 0 C-N-CA 119.576 -0.85 . . . . 0.0 112.497 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -75.74 -39.47 57.13 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 104.165 -2.531 . . . . 0.0 104.165 -174.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -90.05 -46.2 8.65 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 115.649 -0.705 . . . . 0.0 112.84 -169.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.4 mt -100.73 -7.64 23.56 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-O 121.093 0.473 . . . . 0.0 110.769 -174.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.23 16.83 78.61 Favored Glycine 0 N--CA 1.465 0.625 0 CA-C-N 115.421 -0.809 . . . . 0.0 115.113 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.0 m -139.04 156.19 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-N 118.066 0.933 . . . . 0.0 111.132 -176.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -84.17 122.73 29.25 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -73.61 120.9 83.58 Favored Pre-proline 0 CA--C 1.543 0.711 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -68.42 106.63 1.45 Allowed 'Trans proline' 0 C--N 1.347 0.478 0 CA-C-O 121.469 0.529 . . . . 0.0 112.809 177.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.7 tt -56.05 -26.36 21.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 N-CA-C 115.277 1.584 . . . . 0.0 115.277 -175.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.2 mmm-85 -63.7 -34.63 78.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 120.716 -1.24 . . . . 0.0 110.458 175.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -75.44 -31.85 60.47 Favored 'General case' 0 C--O 1.215 -0.735 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.5 tp -65.5 -41.79 92.81 Favored 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 177.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -70.88 -38.24 73.06 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.106 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.3 t -71.77 -28.0 63.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.876 0.37 . . . . 0.0 111.489 -178.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.2 m -142.39 83.88 11.72 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -79.11 32.67 0.47 Allowed 'Trans proline' 0 N--CA 1.48 0.726 0 C-N-CA 121.857 1.705 . . . . 0.0 114.492 -176.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 81.6 p -120.72 153.71 56.95 Favored Pre-proline 0 C--N 1.322 -0.62 0 N-CA-C 107.915 -1.143 . . . . 0.0 107.915 176.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.25 -31.78 17.71 Favored 'Trans proline' 0 CA--C 1.535 0.566 0 C-N-CA 115.593 -2.471 . . . . 0.0 114.401 -173.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.9 -29.21 35.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 121.357 -0.84 . . . . 0.0 109.76 175.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.56 -49.85 53.17 Favored Glycine 0 CA--C 1.5 -0.865 0 C-N-CA 120.192 -1.004 . . . . 0.0 110.674 -177.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.51 -36.93 77.37 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.304 0 CA-C-O 119.49 -0.29 . . . . 0.0 110.369 -176.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.85 -44.14 97.43 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 123.862 0.726 . . . . 0.0 111.682 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.0 mtt-85 -77.36 -31.6 54.45 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.442 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.22 -49.27 67.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.032 0.444 . . . . 0.0 112.104 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 pp -65.33 -30.93 71.82 Favored 'General case' 0 C--O 1.218 -0.59 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.2 177.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.72 -38.02 85.85 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.148 -0.621 . . . . 0.0 110.773 177.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.89 -34.42 76.62 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.984 0.421 . . . . 0.0 110.056 178.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -65.19 -26.94 68.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.963 -0.46 . . . . 0.0 111.063 176.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.3 m -95.43 0.91 53.86 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.07 154.3 39.26 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.378 0.609 . . . . 0.0 110.35 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.8 t -73.94 -4.36 34.69 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 -178.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 67.5 p-90 -152.27 153.35 33.56 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 105.663 -1.977 . . . . 0.0 105.663 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 64.0 p -159.63 159.44 33.13 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -92.99 148.62 36.13 Favored Pre-proline 0 C--N 1.324 -0.531 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 172.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -70.66 150.14 62.27 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 116.067 -2.155 . . . . 0.0 111.259 176.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -141.66 136.52 30.99 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.188 -1.041 . . . . 0.0 108.188 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -84.52 141.18 30.93 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 176.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -139.93 153.47 46.95 Favored 'General case' 0 C--O 1.207 -1.161 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 175.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.3 -1.563 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 176.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 CA-C-O 118.419 -1.212 . . . . 54.14 111.261 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.87 149.27 50.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 118.45 1.125 . . . . 55.43 108.07 176.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.3 tpt -79.59 135.53 36.62 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.261 -0.644 . . . . 73.25 109.261 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.02 149.25 32.24 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.668 -0.864 . . . . 54.51 108.668 177.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -64.6 142.81 58.3 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.018 -0.734 . . . . 75.44 109.018 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.79 151.97 70.54 Favored Pre-proline 0 CA--C 1.545 0.779 0 N-CA-C 109.717 -0.475 . . . . 73.12 109.717 174.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.49 147.29 64.25 Favored 'Trans proline' 0 C--N 1.349 0.576 0 N-CA-C 115.829 1.434 . . . . 61.31 115.829 -175.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -99.81 112.41 24.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 114.592 -1.186 . . . . 71.11 109.461 173.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.4 t -148.49 168.8 21.75 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 107.681 -1.229 . . . . 72.35 107.681 174.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.39 -44.1 88.82 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.842 0.682 . . . . 75.21 112.842 -174.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.4 m -60.08 -44.91 94.44 Favored 'General case' 0 C--O 1.221 -0.408 0 CA-C-O 121.131 0.491 . . . . 74.42 110.541 -177.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.16 -40.04 80.4 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.854 -0.612 . . . . 70.12 111.045 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -68.4 -35.85 78.27 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.089 0.403 . . . . 74.0 112.089 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 80.4 t -67.18 -45.1 87.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 107.876 -1.157 . . . . 74.41 107.876 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.4 mt -64.42 -37.98 89.43 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 116.057 -0.52 . . . . 73.13 111.68 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 72.4 m -58.38 -46.86 85.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 122.31 -0.244 . . . . 70.21 110.97 174.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.53 -33.69 74.54 Favored 'General case' 0 C--O 1.218 -0.596 0 O-C-N 121.627 -0.671 . . . . 71.43 110.061 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.06 -37.58 88.03 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 119.278 -0.391 . . . . 73.35 110.762 176.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -60.54 -45.01 95.47 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 107.126 -1.435 . . . . 73.35 107.126 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.52 -36.36 80.32 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 114.719 1.377 . . . . 41.12 114.719 -175.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -71.0 -32.95 69.91 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.823 -0.548 . . . . 72.43 109.853 -177.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.8 mm -84.91 -36.89 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.508 0 N-CA-C 113.693 0.997 . . . . 71.42 113.693 -176.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.2 mt -88.63 -18.25 28.37 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 124.015 0.926 . . . . 54.43 111.924 -177.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.18 32.89 51.05 Favored Glycine 0 C--O 1.226 -0.404 0 C-N-CA 121.152 -0.547 . . . . 74.22 113.092 178.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 32.7 m -115.55 154.15 17.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 122.473 -0.428 . . . . 73.54 110.357 -178.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' HB2' ' HE ' ' A' ' 27' ' ' ARG . 94.0 mt-10 -68.61 -34.95 76.66 Favored 'General case' 0 CA--C 1.506 -0.726 0 N-CA-C 114.456 1.28 . . . . 65.02 114.456 -176.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.446 ' HE ' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -146.35 158.06 43.85 Favored 'General case' 0 CA--C 1.494 -1.2 0 O-C-N 121.971 -0.456 . . . . 75.2 110.103 -173.443 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.66 137.88 31.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.31 -0.859 . . . . 74.32 109.32 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.35 164.19 39.83 Favored Glycine 0 CA--C 1.518 0.254 0 O-C-N 121.464 -0.773 . . . . 60.01 112.047 175.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -66.66 -22.81 30.3 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.986 0 O-C-N 121.658 -0.907 . . . . 41.35 112.91 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.99 22.85 12.29 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 120.935 0.397 . . . . 62.32 111.092 179.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.73 133.01 47.01 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.48 -0.488 . . . . 71.01 110.326 -175.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.43 123.16 27.27 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.524 -0.47 . . . . 60.31 109.791 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -51.64 -39.93 59.03 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.287 0.477 . . . . 62.55 112.287 -178.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.4 p-80 -79.0 -14.32 59.27 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 114.863 1.431 . . . . 71.32 114.863 -177.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -71.48 -34.37 70.12 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.695 0.759 . . . . 61.32 109.319 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -82.11 20.1 1.07 Allowed 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.193 -0.912 . . . . 52.03 110.683 176.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.1 9.72 83.74 Favored Glycine 0 C--O 1.239 0.446 0 O-C-N 121.945 -0.472 . . . . 64.14 113.243 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.8 132.85 49.57 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-O 122.093 0.829 . . . . 50.0 112.69 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.8 m -122.2 165.37 16.26 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.072 -0.564 . . . . 75.32 109.501 -176.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 t -55.9 -36.97 68.25 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.118 0.414 . . . . 62.44 112.118 -179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.95 -37.58 88.13 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 121.8 -0.563 . . . . 74.25 111.708 178.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.5 mt -71.99 -31.18 66.0 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.146 -0.346 . . . . 75.42 110.678 178.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.29 -34.55 75.4 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 116.488 -0.324 . . . . 63.15 110.344 177.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 89.0 mtp -65.38 -31.97 73.36 Favored 'General case' 0 C--O 1.251 1.166 0 CA-C-O 121.427 0.632 . . . . 63.02 110.582 177.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -75.82 -36.53 59.64 Favored 'General case' 0 C--O 1.205 -1.255 0 CA-C-O 121.156 0.503 . . . . 74.33 110.376 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 41.9 tp -58.45 -47.44 84.0 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.475 -1.239 . . . . 53.11 108.841 177.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 57.3 mt -60.45 -38.84 79.26 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 CA-C-N 114.647 -1.161 . . . . 71.35 110.309 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.53 -42.43 98.81 Favored 'General case' 0 C--O 1.207 -1.145 0 C-N-CA 120.396 -0.522 . . . . 72.43 110.98 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 72.3 mtt-85 -67.73 -31.53 71.52 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 113.648 0.981 . . . . 74.5 113.648 178.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.1 mt -61.67 -32.82 54.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 O-C-N 121.445 -0.784 . . . . 73.23 110.28 176.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -66.38 -29.63 69.84 Favored 'General case' 0 C--O 1.219 -0.52 0 O-C-N 121.337 -0.852 . . . . 74.35 112.505 175.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -81.52 -33.94 31.51 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.479 -0.563 . . . . 73.52 109.479 -175.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -91.22 -52.02 5.02 Favored 'General case' 0 C--O 1.218 -0.557 0 N-CA-C 115.021 1.489 . . . . 53.15 115.021 -176.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.6 mt -96.61 -8.18 32.38 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 122.43 1.109 . . . . 74.22 109.976 -173.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.77 19.56 79.37 Favored Glycine 0 C--N 1.351 1.406 0 CA-C-N 114.752 -1.113 . . . . 70.22 114.784 177.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.0 m -140.83 153.25 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-O 121.35 0.595 . . . . 72.43 111.358 -175.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -83.93 109.57 17.71 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.242 -0.651 . . . . 72.32 109.242 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.5 tp -65.94 123.78 85.9 Favored Pre-proline 0 C--N 1.327 -0.403 0 C-N-CA 119.933 -0.707 . . . . 71.23 109.196 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -64.81 123.4 11.61 Favored 'Trans proline' 0 N--CA 1.464 -0.247 0 C-N-CA 117.878 -0.948 . . . . 73.41 110.015 171.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.0 tt -60.96 -24.29 32.4 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-O 121.336 0.589 . . . . 60.31 111.365 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.2 tpp85 -63.5 -34.55 78.02 Favored 'General case' 0 C--N 1.328 -0.357 0 O-C-N 121.577 -0.702 . . . . 74.11 110.462 176.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -68.28 -36.37 79.29 Favored 'General case' 0 N--CA 1.432 -1.33 0 CA-C-N 119.287 0.949 . . . . 43.51 109.455 179.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 13.9 tp -65.68 -43.77 88.24 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.523 0.678 . . . . 61.42 109.704 178.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.8 m-30 -69.86 -24.34 63.42 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 121.835 -0.541 . . . . 63.11 112.111 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.7 m -82.08 -23.72 35.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.073 0.464 . . . . 74.42 110.648 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 59.6 m -153.2 92.38 3.26 Favored Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 109.637 -0.505 . . . . 63.12 109.637 -178.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -80.06 18.86 1.1 Allowed 'Trans proline' 0 CA--C 1.539 0.761 0 N-CA-C 115.978 1.492 . . . . 43.43 115.978 -174.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 39.8 p -111.43 155.84 42.22 Favored Pre-proline 0 CA--C 1.51 -0.579 0 CA-C-N 118.551 0.614 . . . . 74.11 109.754 178.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -68.89 -32.87 21.54 Favored 'Trans proline' 0 C--O 1.252 1.216 0 C-N-CA 115.297 -2.669 . . . . 74.35 113.141 -174.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -79.33 -28.31 42.08 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 119.864 1.211 . . . . 71.34 112.101 174.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.03 -47.99 69.22 Favored Glycine 0 CA--C 1.5 -0.888 0 N-CA-C 110.407 -1.077 . . . . 75.51 110.407 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.2 p -66.09 -33.7 65.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 C-N-CA 121.34 -0.144 . . . . 42.11 111.307 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.74 -44.39 97.0 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 124.019 0.928 . . . . 71.34 109.582 176.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 65.2 mtm180 -66.64 -42.14 87.17 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 120.974 -1.079 . . . . 71.33 109.604 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.02 -44.93 87.57 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.646 -0.706 . . . . 42.31 112.81 -176.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.4 pp -73.64 -33.69 64.64 Favored 'General case' 0 C--N 1.314 -0.956 0 O-C-N 121.983 -0.448 . . . . 72.21 110.117 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.14 -44.11 96.48 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.084 -0.646 . . . . 61.1 110.17 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.54 -40.39 96.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.48 . . . . 63.31 110.466 178.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -63.82 -39.47 94.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.635 -0.257 . . . . 72.21 111.255 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.3 t -73.52 -34.17 65.1 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.939 -0.304 . . . . 55.51 110.999 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.35 -20.75 63.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.126 0.489 . . . . 53.14 111.34 178.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.0 m -81.19 -10.42 59.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.133 -0.485 . . . . 73.53 112.258 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 90.1 m95 50.01 32.26 5.56 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.43 0.692 . . . . 74.04 112.671 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.3 m -64.56 127.93 33.63 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.825 0.676 . . . . 75.53 112.825 -174.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 26.9 m-70 -63.27 151.04 87.92 Favored Pre-proline 0 C--O 1.242 0.704 0 CA-C-N 115.922 -0.581 . . . . 73.44 109.666 176.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -73.34 155.49 51.07 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 116.816 -1.656 . . . . 64.3 111.51 178.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -77.94 -20.98 51.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.996 0.427 . . . . 72.13 110.828 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -113.79 133.91 55.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.92 -0.582 . . . . 73.41 109.854 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -94.13 148.93 21.71 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 106.153 -1.795 . . . . 73.41 106.153 173.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.874 0 N-CA-C 107.462 -1.31 . . . . 74.21 107.462 -173.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.21 -1.367 0 CA-C-O 118.497 -1.168 . . . . 52.44 111.224 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.35 -30.39 61.99 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 118.215 1.007 . . . . 52.35 109.123 176.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 93.3 mmm -80.67 149.75 29.67 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.727 -0.669 . . . . 64.1 109.834 178.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.15 148.55 48.55 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.243 -1.392 . . . . 72.24 107.243 173.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -65.95 116.35 7.0 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.923 -0.311 . . . . 62.23 110.402 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.52 156.11 64.66 Favored Pre-proline 0 C--O 1.252 1.191 0 CA-C-N 116.214 -0.448 . . . . 54.45 111.448 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -72.21 158.05 52.63 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 118.175 -0.75 . . . . 70.44 110.639 172.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -75.93 125.09 28.45 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 112.038 0.385 . . . . 75.22 112.038 -178.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.1 m -95.11 149.92 20.76 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.276 -1.009 . . . . 74.45 108.276 168.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.49 -36.82 74.36 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 112.56 0.578 . . . . 73.3 112.56 -177.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.3 m -73.19 -38.79 66.01 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.863 0.363 . . . . 72.41 110.956 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -59.06 -44.54 91.84 Favored 'General case' 0 CA--C 1.505 -0.787 0 N-CA-C 113.036 0.754 . . . . 71.0 113.036 -175.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.4 pttt -62.98 -32.99 74.45 Favored 'General case' 0 C--N 1.318 -0.793 0 C-N-CA 119.572 -0.851 . . . . 61.22 112.449 -175.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 47.8 t -70.45 -49.77 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 N-CA-C 109.896 -0.409 . . . . 61.02 109.896 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 pp -69.76 -30.51 68.11 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.51 -0.476 . . . . 53.4 111.668 -178.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.5 m -63.22 -45.09 93.25 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 121.986 -0.446 . . . . 71.21 110.705 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.04 86.29 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.756 -0.59 . . . . 54.54 109.802 178.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 mp -63.46 -38.57 91.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.969 -0.559 . . . . 70.44 110.566 177.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -57.01 -45.41 83.08 Favored 'General case' 0 C--O 1.216 -0.684 0 N-CA-C 106.941 -1.503 . . . . 72.42 106.941 177.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.71 -39.06 87.16 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 113.985 1.106 . . . . 72.4 113.985 -176.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -67.64 -41.76 83.36 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.823 0.675 . . . . 73.44 112.823 177.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 30.0 mm -76.11 -36.82 31.84 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.033 0 CA-C-N 114.863 -1.062 . . . . 73.23 111.694 -173.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 mt -91.74 -19.15 22.91 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.375 -0.83 . . . . 72.55 112.271 -177.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.25 34.76 54.29 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.758 -0.734 . . . . 33.34 113.046 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.2 m -111.67 153.3 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-O 121.038 0.447 . . . . 62.23 111.113 -177.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -67.71 -32.06 72.43 Favored 'General case' 0 C--O 1.275 2.405 0 N-CA-C 113.595 0.961 . . . . 54.45 113.595 -174.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . 0.296 43.0 ttp180 -152.8 157.64 41.07 Favored 'General case' 0 N--CA 1.417 -2.097 0 N-CA-C 105.754 -1.943 . . . . 72.34 105.754 -171.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.3 t -134.0 129.71 54.54 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.569 0 CA-C-O 122.819 1.295 . . . . 75.04 113.405 172.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.61 169.57 27.43 Favored Glycine 0 N--CA 1.439 -1.152 0 O-C-N 119.591 -1.943 . . . . 75.05 113.572 172.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -66.4 -23.72 32.09 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.973 0 N-CA-C 114.977 1.473 . . . . 74.11 114.977 177.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -98.71 3.66 47.7 Favored 'General case' 0 N--CA 1.437 -1.1 0 N-CA-C 115.281 1.586 . . . . 71.25 115.281 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.33 116.84 18.27 Favored 'General case' 0 C--N 1.308 -1.225 0 O-C-N 120.954 -1.091 . . . . 62.31 110.331 -169.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.56 132.72 37.27 Favored 'General case' 0 C--O 1.21 -0.984 0 CA-C-O 122.076 0.941 . . . . 64.43 108.497 -176.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -55.85 -37.25 68.5 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.455 -1.248 . . . . 72.32 109.503 -179.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.8 p-80 -78.46 -18.45 54.86 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 120.942 -1.099 . . . . 72.24 113.802 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -81.25 -30.17 34.21 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 106.893 -1.521 . . . . 73.24 106.893 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 78.3 mt -82.55 19.46 1.27 Allowed 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 114.616 -1.175 . . . . 74.43 111.577 178.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.04 2.78 88.13 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 116.195 1.238 . . . . 73.32 116.195 176.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.76 150.34 49.21 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 115.017 0.767 . . . . 70.15 115.017 -178.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 84.9 p -126.03 170.73 11.44 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 122.875 0.47 . . . . 75.51 109.796 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.1 p -65.3 -30.6 71.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.965 0.412 . . . . 61.34 110.725 177.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.14 -43.62 77.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.395 0.617 . . . . 75.34 109.458 176.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.0 tp -67.55 -32.26 72.91 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.907 -0.588 . . . . 62.25 110.896 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.38 -31.38 65.74 Favored 'General case' 0 C--O 1.205 -1.239 0 N-CA-C 112.602 0.593 . . . . 74.25 112.602 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 25.5 mmt -62.27 -31.69 72.3 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 121.71 0.767 . . . . 75.15 110.923 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -75.14 -35.33 61.67 Favored 'General case' 0 CA--C 1.507 -0.694 0 O-C-N 121.667 -0.646 . . . . 74.3 109.973 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 53.0 tp -62.08 -47.35 85.06 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 107.936 -1.135 . . . . 55.55 107.936 177.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 71.2 mt -60.4 -43.59 94.31 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-N 115.41 -0.814 . . . . 73.42 109.338 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.84 96.2 Favored 'General case' 0 C--O 1.21 -1.015 0 C-N-CA 121.354 -0.138 . . . . 63.12 111.15 179.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.58 -39.46 93.78 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 120.942 0.401 . . . . 74.22 111.754 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 79.7 mt -62.04 -29.78 47.24 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.112 0 N-CA-C 112.448 0.536 . . . . 52.23 112.448 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.5 mtp180 -66.19 -31.39 72.2 Favored 'General case' 0 C--O 1.172 -3.005 0 N-CA-C 112.836 0.68 . . . . 74.54 112.836 177.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.2 mm-40 -78.52 -38.98 39.31 Favored 'General case' 0 CA--C 1.487 -1.465 0 N-CA-C 106.241 -1.763 . . . . 75.23 106.241 -176.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -82.23 -43.59 17.43 Favored 'General case' 0 CA--C 1.562 1.441 0 CA-C-O 121.677 0.751 . . . . 70.24 112.062 -170.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 73.2 mt -112.88 -4.7 13.92 Favored 'General case' 0 C--N 1.358 0.962 0 O-C-N 121.834 -0.541 . . . . 73.31 110.38 -169.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.96 17.62 79.45 Favored Glycine 0 N--CA 1.475 1.265 0 C-N-CA 120.441 -0.885 . . . . 22.3 114.392 178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.4 m -140.63 148.29 22.17 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 CA-C-O 121.661 0.743 . . . . 61.11 112.622 -177.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -77.3 117.84 19.2 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 107.644 -1.243 . . . . 75.33 107.644 173.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.3 tp -61.97 126.95 88.47 Favored Pre-proline 0 CA--C 1.539 0.521 0 N-CA-C 108.201 -1.037 . . . . 61.2 108.201 176.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -63.68 118.93 5.84 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 117.328 -1.314 . . . . 73.31 111.228 176.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.8 tt -62.51 -25.28 37.55 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 O-C-N 121.798 -0.564 . . . . 72.42 110.693 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -61.38 -41.3 96.87 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 122.084 -0.385 . . . . 75.35 110.545 175.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -69.21 -38.09 78.4 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 118.039 0.381 . . . . 72.15 110.358 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.4 tp -64.96 -43.96 90.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.503 -0.317 . . . . 74.03 110.623 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.4 m-30 -69.88 -31.32 69.07 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.201 0.445 . . . . 72.24 112.201 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.0 m -76.11 -22.94 54.94 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.128 0.49 . . . . 31.52 111.563 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 65.6 m -150.23 86.31 5.22 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.521 -0.308 . . . . 74.34 110.276 -178.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -78.6 24.37 0.57 Allowed 'Trans proline' 0 CA--C 1.539 0.773 0 N-CA-C 116.02 1.508 . . . . 75.23 116.02 -176.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 28.6 p -115.75 155.09 48.02 Favored Pre-proline 0 C--O 1.237 0.417 0 N-CA-C 106.992 -1.484 . . . . 63.32 106.992 175.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -66.85 -36.41 23.61 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 N-CA-C 114.527 0.934 . . . . 75.03 114.527 -177.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.6 -31.46 63.58 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 121.416 -0.803 . . . . 61.13 109.791 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.4 -49.97 41.44 Favored Glycine 0 N--CA 1.442 -0.949 0 N-CA-C 110.285 -1.126 . . . . 72.31 110.285 -177.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.0 p -66.28 -32.45 58.12 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.561 0 O-C-N 122.128 -0.631 . . . . 71.13 110.592 -177.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.24 -48.92 77.84 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 120.278 -0.569 . . . . 73.13 112.138 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 18.9 ptt-85 -69.56 -32.29 70.99 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 119.5 -0.88 . . . . 71.03 109.688 -179.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.97 -41.01 78.5 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 121.093 0.473 . . . . 74.12 111.167 -177.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 pp -77.16 -29.84 54.72 Favored 'General case' 0 C--N 1.317 -0.846 0 O-C-N 122.034 -0.416 . . . . 41.43 111.352 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.56 -35.15 73.7 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.67 0.271 . . . . 71.43 111.078 177.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.17 -27.67 68.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.079 0.466 . . . . 73.41 111.792 178.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -77.18 -11.11 59.78 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 112.971 0.73 . . . . 55.34 112.971 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 46.3 t -67.4 -34.25 76.87 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.639 -0.504 . . . . 71.35 109.639 178.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.81 -34.22 77.66 Favored 'General case' 0 C--O 1.22 -0.448 0 CA-C-O 121.031 0.444 . . . . 73.41 110.427 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.1 p -89.19 3.24 52.61 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.773 0.657 . . . . 74.3 112.773 -178.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -84.59 -28.03 26.83 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.207 -1.405 . . . . 74.33 107.207 176.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.3 m -64.92 140.78 58.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.131 -0.94 . . . . 61.34 110.515 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -68.0 150.22 97.86 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.437 -0.347 . . . . 72.34 111.234 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -72.01 158.82 51.7 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 118.487 -0.542 . . . . 72.4 111.307 177.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 41.4 tp60 -63.93 -33.9 76.75 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.079 0.466 . . . . 71.35 110.96 178.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -100.25 108.04 20.02 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.592 -1.633 . . . . 72.53 106.592 174.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -80.61 132.75 35.66 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.551 -0.537 . . . . 54.32 109.551 -179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.189 0 N-CA-C 104.648 -2.353 . . . . 74.41 104.648 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.285 0 CA-C-O 118.401 -1.222 . . . . 61.2 111.506 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.29 155.25 40.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 118.371 1.085 . . . . 71.14 108.102 175.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 65.8 mtt -87.53 149.41 24.38 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.809 0.338 . . . . 73.22 110.395 177.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.06 157.43 34.83 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 105.605 -1.998 . . . . 64.11 105.605 168.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -67.03 134.62 52.28 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 107.872 -1.159 . . . . 65.01 107.872 177.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.09 150.07 94.7 Favored Pre-proline 0 C--N 1.319 -0.752 0 N-CA-C 109.061 -0.718 . . . . 65.41 109.061 -178.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -77.9 -178.47 4.64 Favored 'Trans proline' 0 C--N 1.351 0.701 0 O-C-N 122.447 0.709 . . . . 73.02 111.5 175.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.87 153.14 44.21 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.013 -0.54 . . . . 73.15 110.97 177.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.5 t -130.19 146.68 51.84 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 122.107 0.956 . . . . 34.11 111.287 -178.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -76.88 -27.6 55.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.221 -0.899 . . . . 71.2 111.407 178.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.2 m -54.48 -46.3 73.35 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.088 0.773 . . . . 71.14 113.088 -172.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.01 -38.51 76.29 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 121.361 0.6 . . . . 72.01 110.533 -179.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -73.94 -34.61 64.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.295 -0.412 . . . . 61.11 111.209 -175.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 78.1 t -66.97 -45.38 87.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 107.216 -1.402 . . . . 61.03 107.216 177.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.0 mt -66.27 -39.31 89.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.438 -0.346 . . . . 71.43 111.68 -178.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 49.6 m -57.89 -45.79 85.9 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.999 -0.28 . . . . 72.31 110.375 175.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.17 -39.2 82.61 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 121.595 0.712 . . . . 53.35 111.502 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 tp -62.01 -33.51 74.48 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 121.507 -0.746 . . . . 75.14 112.47 178.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -61.92 -44.97 95.69 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.478 -1.304 . . . . 70.41 107.478 175.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.28 -40.69 97.08 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 120.049 -0.661 . . . . 54.23 112.728 -179.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -64.08 -32.06 73.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.409 0.623 . . . . 75.31 111.924 -178.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 34.9 mm -91.01 -37.71 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.916 0 N-CA-C 114.563 1.32 . . . . 73.12 114.563 -175.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.5 mt -89.34 -21.18 23.24 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.712 -0.676 . . . . 65.15 112.581 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.2 26.87 60.93 Favored Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.094 -1.051 . . . . 73.12 113.543 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -102.38 151.62 5.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 121.992 -0.711 . . . . 73.24 111.421 -178.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -68.52 -29.82 68.49 Favored 'General case' 0 C--O 1.246 0.906 0 N-CA-C 112.827 0.677 . . . . 73.1 112.827 -174.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -147.16 149.72 33.53 Favored 'General case' 0 CA--C 1.505 -0.787 0 O-C-N 121.397 -0.814 . . . . 73.42 109.687 -172.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.3 t -138.65 131.13 38.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 106.502 -1.666 . . . . 70.24 106.502 175.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.64 171.48 30.5 Favored Glycine 0 CA--C 1.533 1.197 0 N-CA-C 110.017 -1.233 . . . . 43.01 110.017 175.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.1 m -71.59 -22.22 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 N-CA-C 113.198 0.814 . . . . 74.15 113.198 -177.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -111.84 17.9 19.36 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.47 -1.241 . . . . 75.32 110.3 -177.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.38 122.43 22.95 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.395 -0.522 . . . . 74.11 110.859 -176.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.62 127.25 32.66 Favored 'General case' 0 C--O 1.211 -0.935 0 N-CA-C 108.613 -0.884 . . . . 54.12 108.613 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -56.03 -35.89 67.36 Favored 'General case' 0 C--O 1.211 -0.928 0 CA-C-N 116.192 -0.458 . . . . 74.01 110.913 -178.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.4 p-80 -79.97 -20.93 44.4 Favored 'General case' 0 C--O 1.219 -0.503 0 N-CA-C 114.349 1.24 . . . . 74.41 114.349 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -74.13 -33.68 63.63 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 122.616 1.198 . . . . 71.43 108.202 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 62.2 mt -79.95 22.23 0.51 Allowed 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 114.287 -1.324 . . . . 71.21 112.76 177.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 79.94 27.73 52.4 Favored Glycine 0 N--CA 1.464 0.543 0 N-CA-C 114.654 0.621 . . . . 73.2 114.654 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.15 156.52 52.07 Favored Glycine 0 CA--C 1.523 0.566 0 CA-C-O 122.471 1.039 . . . . 72.41 115.636 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.7 t -143.01 158.12 43.9 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 108.021 -1.103 . . . . 64.14 108.021 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.8 p -63.7 -32.34 73.8 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.57 -0.9 . . . . 75.11 108.57 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.19 -29.46 70.28 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.162 -0.927 . . . . 63.43 110.809 178.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.5 mt -88.67 -29.08 20.17 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 122.346 -0.222 . . . . 71.15 110.988 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.21 -43.03 87.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.649 0.261 . . . . 63.42 110.404 179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 27.7 ptm -69.75 -27.05 64.62 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 120.481 -0.488 . . . . 71.03 111.754 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -74.72 -31.39 61.83 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-O 121.232 0.539 . . . . 75.34 109.705 176.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 48.2 tp -67.86 -46.68 71.04 Favored 'General case' 0 C--O 1.212 -0.884 0 N-CA-C 108.15 -1.056 . . . . 61.15 108.15 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.6 mt -61.08 -37.9 78.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.609 0 CA-C-N 116.253 -0.43 . . . . 64.12 110.26 179.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.31 -42.26 99.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.139 0.495 . . . . 45.1 109.848 177.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.8 tpt180 -68.53 -32.98 73.31 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.568 0.951 . . . . 61.45 113.568 177.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.506 HG21 ' HB2' ' A' ' 59' ' ' LEU . 92.6 mt -59.23 -35.26 56.9 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 CA-C-O 122.776 1.274 . . . . 74.23 111.627 176.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -60.9 -28.61 69.03 Favored 'General case' 0 CA--C 1.511 -0.53 0 O-C-N 120.589 -1.319 . . . . 73.4 113.425 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -81.12 -40.22 24.37 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 106.85 -1.537 . . . . 74.41 106.85 -175.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -82.51 -52.45 6.84 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.097 -0.956 . . . . 72.21 112.474 -170.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 39.7 mt -96.57 -9.44 29.44 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-N 115.749 -0.66 . . . . 71.2 110.562 -175.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.65 18.91 79.64 Favored Glycine 0 C--N 1.339 0.695 0 N-CA-C 115.904 1.122 . . . . 34.1 115.904 178.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.5 m -139.1 152.05 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-O 121.37 0.605 . . . . 71.42 111.66 -175.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -84.22 98.39 9.92 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.991 -1.115 . . . . 74.21 107.991 175.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.506 ' HB2' HG21 ' A' ' 51' ' ' ILE . 1.5 tm? -71.11 121.03 83.01 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-O 121.373 0.606 . . . . 74.31 111.177 -174.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -61.7 132.67 41.29 Favored 'Trans proline' 0 C--N 1.345 0.394 0 N-CA-C 111.473 -0.241 . . . . 73.24 111.473 -179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.5 tt -61.58 -22.81 28.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.689 0 O-C-N 121.744 -0.597 . . . . 73.14 111.427 177.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -64.98 -33.21 75.51 Favored 'General case' 0 C--O 1.207 -1.172 0 O-C-N 121.923 -0.486 . . . . 75.24 111.091 175.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.56 -40.79 76.59 Favored 'General case' 0 C--O 1.22 -0.457 0 N-CA-C 108.49 -0.93 . . . . 73.13 108.49 177.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.4 tp -65.64 -46.16 80.29 Favored 'General case' 0 C--O 1.213 -0.853 0 CA-C-N 116.627 -0.261 . . . . 71.44 111.567 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.4 m-30 -71.57 -25.4 62.18 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.703 0.631 . . . . 70.33 112.703 -179.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.8 t -69.43 -30.8 68.82 Favored 'General case' 0 CA--C 1.509 -0.626 0 C-N-CA 120.958 -0.297 . . . . 72.12 110.723 178.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 52.9 m -151.5 90.06 4.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 108.847 -0.797 . . . . 64.32 108.847 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -79.23 27.81 0.51 Allowed 'Trans proline' 0 C--N 1.354 0.841 0 N-CA-C 116.278 1.607 . . . . 65.44 116.278 -173.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 42.0 p -116.8 152.36 48.42 Favored Pre-proline 0 C--N 1.324 -0.504 0 N-CA-C 106.364 -1.717 . . . . 72.5 106.364 178.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -66.63 -32.77 37.71 Favored 'Trans proline' 0 CA--C 1.536 0.616 0 C-N-CA 113.582 -3.812 . . . . 74.02 114.428 -173.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.92 -31.55 63.13 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 120.904 -1.123 . . . . 72.21 109.615 175.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -64.62 -44.55 94.84 Favored Glycine 0 C--O 1.222 -0.602 0 C-N-CA 120.558 -0.829 . . . . 65.12 111.762 178.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 85.1 t -57.57 -41.64 79.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 108.665 -0.865 . . . . 53.11 108.665 178.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.51 98.99 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-O 121.077 0.465 . . . . 74.05 111.169 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 65.7 mtm180 -68.47 -40.44 81.01 Favored 'General case' 0 C--N 1.308 -1.208 0 O-C-N 121.198 -0.939 . . . . 75.15 110.352 178.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.54 -36.8 84.89 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.996 -0.547 . . . . 74.23 111.937 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.4 pp -80.45 -34.74 35.74 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 122.12 -0.363 . . . . 72.33 111.531 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.21 -31.61 72.79 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.325 0.584 . . . . 63.01 111.018 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.62 -22.45 63.79 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 112.461 0.541 . . . . 74.32 112.461 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -65.56 -43.62 89.3 Favored 'General case' 0 C--O 1.219 -0.543 0 O-C-N 122.07 -0.394 . . . . 75.2 111.952 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 55.1 p -75.74 -27.02 57.96 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 110.012 -0.366 . . . . 64.14 110.012 -177.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.44 -30.38 65.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.465 -0.334 . . . . 63.42 110.735 176.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.6 m -92.5 -22.18 19.71 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 114.182 1.179 . . . . 75.22 114.182 -175.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 63.8 m95 -134.25 135.87 43.22 Favored 'General case' 0 CA--C 1.512 -0.496 0 CA-C-O 121.088 0.47 . . . . 72.32 111.962 -174.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 45.2 t -67.46 124.57 23.56 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 107.076 -1.453 . . . . 63.24 107.076 174.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -72.52 129.26 87.4 Favored Pre-proline 0 C--N 1.316 -0.87 0 CA-C-O 120.574 0.226 . . . . 74.11 110.758 -177.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.42 -9.6 16.18 Favored 'Trans proline' 0 C--N 1.349 0.593 0 N-CA-C 113.896 0.691 . . . . 51.23 113.896 -178.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -140.84 162.01 36.45 Favored 'General case' 0 CA--C 1.513 -0.471 0 N-CA-C 103.31 -2.848 . . . . 61.33 103.31 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -68.32 162.33 25.44 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.182 0.515 . . . . 73.24 110.428 -175.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -120.71 170.13 9.74 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.754 -1.573 . . . . 63.22 106.754 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp . . . . . 0 C--O 1.25 1.079 0 CA-C-O 117.042 -1.456 . . . . 55.01 111.142 -176.72 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.629 0 CA-C-O 118.61 -1.105 . . . . 30.31 111.147 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.86 153.29 44.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 118.187 0.993 . . . . 51.32 109.155 177.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 57.4 ttm -104.52 148.64 26.25 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.336 -1.357 . . . . 74.11 107.336 178.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.82 150.12 49.07 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 108.752 -0.833 . . . . 51.24 108.752 176.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -65.62 136.24 56.08 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 107.422 -1.325 . . . . 74.31 107.422 176.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.13 149.56 93.82 Favored Pre-proline 0 CA--C 1.546 0.821 0 N-CA-C 109.895 -0.409 . . . . 70.41 109.895 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -74.98 166.96 28.12 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 118.371 -0.619 . . . . 64.13 111.445 177.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -68.57 129.51 40.13 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.816 -0.809 . . . . 52.32 108.816 176.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.5 m -79.28 160.47 26.81 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.184 0.516 . . . . 54.2 111.437 -177.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.61 -37.18 70.32 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.553 0.575 . . . . 60.13 112.553 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.0 m -73.63 -40.78 63.53 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.088 0.47 . . . . 74.3 110.909 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -62.39 -42.0 99.08 Favored 'General case' 0 C--O 1.213 -0.863 0 CA-C-N 116.225 -0.443 . . . . 71.44 112.002 -176.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -64.23 -30.72 71.77 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 120.247 -0.581 . . . . 72.02 112.501 -178.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.9 t -71.06 -45.69 70.93 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.56 0 N-CA-C 107.153 -1.425 . . . . 64.43 107.153 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.2 mt -63.66 -43.41 96.81 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.034 -0.53 . . . . 72.11 110.717 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.7 m -57.5 -46.49 83.7 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-O 120.739 0.304 . . . . 72.02 111.307 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.35 -36.28 74.09 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 119.834 -0.746 . . . . 72.32 111.068 -178.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 mp -66.35 -31.49 72.31 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 122.134 -0.354 . . . . 53.54 111.856 179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -60.06 -53.12 61.58 Favored 'General case' 0 C--O 1.203 -1.362 0 N-CA-C 106.18 -1.785 . . . . 73.45 106.18 172.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.11 -46.87 84.84 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.219 0.822 . . . . 61.14 113.219 -175.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -60.64 -33.86 73.43 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.309 0.576 . . . . 74.1 112.378 -177.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 89.9 mt -92.63 -39.89 11.63 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 N-CA-C 112.605 0.594 . . . . 71.52 112.605 -176.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.8 mt -77.54 -25.37 50.09 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.129 0.571 . . . . 74.12 111.279 -177.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.23 35.04 49.9 Favored Glycine 0 C--N 1.329 0.187 0 C-N-CA 120.486 -0.864 . . . . 53.21 112.639 179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -109.02 157.23 9.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-O 121.216 0.531 . . . . 71.32 111.777 -176.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -63.95 -40.24 95.97 Favored 'General case' 0 C--O 1.244 0.797 0 N-CA-C 114.12 1.155 . . . . 74.31 114.12 -176.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -149.51 162.37 40.29 Favored 'General case' 0 CA--C 1.49 -1.353 0 O-C-N 121.963 -0.461 . . . . 73.45 110.483 -177.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.9 t -139.11 126.42 25.66 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.66 0 N-CA-C 106.763 -1.569 . . . . 41.42 106.763 175.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -91.49 165.06 29.66 Favored Glycine 0 N--CA 1.449 -0.466 0 N-CA-C 109.706 -1.358 . . . . 75.41 109.706 173.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -60.35 -25.33 33.7 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 117.894 0.847 . . . . 72.52 112.164 177.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -110.68 19.49 18.6 Favored 'General case' 0 C--O 1.21 -0.992 0 O-C-N 121.968 -0.457 . . . . 73.02 111.784 -177.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -79.96 130.78 35.55 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 120.323 -0.551 . . . . 63.41 112.385 -175.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.22 124.53 27.96 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.573 0.701 . . . . 61.02 111.284 -176.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -53.14 -40.57 64.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.494 -0.775 . . . . 70.22 111.722 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -78.98 -22.16 46.01 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 114.438 1.273 . . . . 73.4 114.438 -177.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -75.45 -32.31 60.59 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 107.252 -1.388 . . . . 65.22 107.252 179.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.6 mp -81.58 15.26 2.18 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 113.844 -1.526 . . . . 75.02 110.56 176.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.17 1.01 79.73 Favored Glycine 0 C--O 1.214 -1.149 0 N-CA-C 117.301 1.68 . . . . 71.12 117.301 174.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -73.84 101.53 1.22 Allowed Glycine 0 C--N 1.317 -0.484 0 N-CA-C 115.945 1.138 . . . . 52.23 115.945 -176.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.3 p -72.03 163.89 27.09 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-O 121.108 0.48 . . . . 64.5 110.691 175.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.8 t -64.68 -23.95 67.42 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.736 -0.602 . . . . 55.04 111.447 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.38 -38.5 74.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.621 0.724 . . . . 73.32 109.242 177.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 28.3 tp -71.02 -32.58 69.38 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.593 -0.73 . . . . 53.51 110.475 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.5 -31.76 62.31 Favored 'General case' 0 C--O 1.206 -1.185 0 N-CA-C 112.708 0.633 . . . . 62.22 112.708 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 24.6 mmt -64.1 -30.72 71.77 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 121.486 -0.759 . . . . 64.14 111.761 177.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -76.35 -32.83 58.86 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.397 -0.815 . . . . 72.1 109.389 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 43.7 tp -60.88 -47.4 86.57 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 108.933 -0.766 . . . . 75.24 108.933 176.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 72.9 mt -61.71 -40.35 86.5 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 CA-C-N 115.75 -0.659 . . . . 75.04 110.576 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.46 -43.49 94.06 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 120.857 -0.337 . . . . 72.14 111.428 177.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -65.85 -33.08 75.02 Favored 'General case' 0 C--O 1.208 -1.116 0 O-C-N 122.924 0.14 . . . . 61.01 111.186 -178.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.9 mt -64.13 -27.46 42.8 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.68 0 O-C-N 123.915 0.76 . . . . 72.14 110.036 -177.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -65.12 -31.62 72.91 Favored 'General case' 0 C--O 1.202 -1.397 0 CA-C-O 121.85 0.834 . . . . 75.54 112.273 -178.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -80.7 -34.27 34.71 Favored 'General case' 0 C--N 1.315 -0.924 0 N-CA-C 108.893 -0.781 . . . . 63.4 108.893 -175.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -88.29 -45.39 10.08 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 113.554 -1.657 . . . . 72.22 112.375 -174.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 61.3 mt -102.18 -7.99 21.72 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-N 118.911 0.778 . . . . 64.23 110.758 -174.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.77 20.16 79.62 Favored Glycine 0 N--CA 1.465 0.594 0 CA-C-N 115.547 -0.751 . . . . 72.24 113.868 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 8.7 p -145.77 149.31 16.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.893 0.346 . . . . 72.33 110.453 -175.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -81.14 121.65 26.38 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.754 -0.832 . . . . 73.22 108.754 174.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -66.06 122.38 80.85 Favored Pre-proline 0 C--O 1.241 0.635 0 N-CA-C 109.764 -0.458 . . . . 72.34 109.764 -177.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -67.47 112.06 2.49 Favored 'Trans proline' 0 C--N 1.345 0.39 0 CA-C-O 121.62 0.592 . . . . 55.31 111.832 176.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.6 tt -58.05 -22.67 19.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 113.431 0.901 . . . . 73.21 113.431 -175.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -61.9 -42.83 99.55 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 121.717 -0.614 . . . . 73.41 110.603 174.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -76.8 -25.02 52.84 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 110.144 -0.317 . . . . 73.03 110.144 -177.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 33.8 tp -65.11 -46.66 80.13 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 121.002 0.429 . . . . 73.32 110.873 173.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.1 m-30 -75.05 -22.41 58.41 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.342 -0.39 . . . . 74.03 110.788 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.9 t -63.32 -34.42 77.65 Favored 'General case' 0 C--O 1.239 0.515 0 C-N-CA 122.847 0.459 . . . . 75.4 109.98 177.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 39.7 m -158.65 101.85 1.65 Allowed Pre-proline 0 C--N 1.329 -0.307 0 N-CA-C 109.233 -0.655 . . . . 64.13 109.233 176.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -76.95 42.68 1.14 Allowed 'Trans proline' 0 C--O 1.213 -0.738 0 C-N-CA 121.464 1.443 . . . . 75.03 113.658 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 46.8 p -126.18 151.44 72.02 Favored Pre-proline 0 CA--C 1.509 -0.618 0 N-CA-C 105.567 -2.012 . . . . 72.31 105.567 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -66.68 -33.74 34.27 Favored 'Trans proline' 0 CA--C 1.538 0.677 0 C-N-CA 114.64 -3.107 . . . . 72.22 114.619 -173.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.85 -30.33 58.88 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.918 0.866 . . . . 71.34 110.067 175.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -64.24 -43.63 96.74 Favored Glycine 0 C--O 1.217 -0.916 0 N-CA-C 110.72 -0.952 . . . . 71.23 110.72 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.42 -47.6 92.7 Favored 'Isoleucine or valine' 0 C--O 1.27 2.149 0 N-CA-C 110.046 -0.353 . . . . 71.11 110.046 176.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.84 -50.2 71.22 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.631 1.173 . . . . 75.42 112.89 177.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 22.2 ptt-85 -67.37 -33.88 76.14 Favored 'General case' 0 N--CA 1.478 0.958 0 O-C-N 120.029 -1.669 . . . . 73.45 110.022 -177.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.65 -41.97 71.43 Favored 'General case' 0 N--CA 1.44 -0.941 0 CA-C-O 121.451 0.643 . . . . 13.23 112.328 -177.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 pp -77.88 -23.64 48.73 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.04 -0.527 . . . . 73.15 111.773 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -54.72 -27.29 39.62 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 113.269 0.841 . . . . 61.34 113.269 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.53 -28.98 69.7 Favored 'General case' 0 CA--C 1.55 0.964 0 O-C-N 122.067 -0.396 . . . . 65.44 111.489 176.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -73.15 -18.02 61.32 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 122.12 -0.362 . . . . 72.21 111.968 179.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.4 t -78.16 -7.58 57.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.581 -0.281 . . . . 74.31 110.476 -178.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 58.86 19.27 6.85 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.072 0.949 . . . . 63.55 112.444 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.4 p -79.99 24.89 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 123.882 0.873 . . . . 71.41 112.261 -178.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 32.2 m-90 58.28 22.05 8.88 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.269 1.028 . . . . 72.11 112.056 -176.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 19.5 m -74.75 137.29 41.91 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.206 -0.664 . . . . 63.53 109.206 177.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -73.9 129.34 85.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.344 -0.389 . . . . 72.54 111.027 -178.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -75.45 175.19 11.6 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 117.843 -0.971 . . . . 74.34 110.759 174.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -116.72 166.16 12.45 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.668 -0.864 . . . . 74.12 108.668 174.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -73.15 132.32 43.1 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.506 -0.924 . . . . 71.32 108.506 175.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -140.5 148.48 41.15 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.403 -1.332 . . . . 74.52 107.403 173.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.4 tptt . . . . . 0 C--O 1.245 0.832 0 CA-C-O 116.978 -1.487 . . . . 53.22 109.919 179.057 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.378 0 N-CA-C 111.287 -0.725 . . . . 64.11 111.287 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.56 153.19 29.66 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.836 -0.801 . . . . 72.41 108.836 177.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 18.2 ptt? -78.05 156.15 30.24 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 123.256 0.623 . . . . 73.22 111.941 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.8 159.69 31.64 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 122.519 0.328 . . . . 62.5 110.9 177.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -83.62 133.37 34.84 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 109.54 -0.541 . . . . 62.14 109.54 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.33 159.01 75.96 Favored Pre-proline 0 CA--C 1.552 1.048 0 C-N-CA 120.364 -0.534 . . . . 74.11 110.208 178.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.3 163.6 38.16 Favored 'Trans proline' 0 C--O 1.256 1.381 0 N-CA-C 110.203 -0.73 . . . . 72.12 110.203 177.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -80.02 157.59 26.73 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 114.639 1.348 . . . . 63.41 114.639 -173.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.6 t -92.85 176.99 6.23 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.118 -0.946 . . . . 74.01 110.576 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.77 -32.66 73.86 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 113.173 0.805 . . . . 74.4 113.173 -177.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.6 m -63.72 -39.69 94.92 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.516 0.674 . . . . 64.13 111.258 -176.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -57.72 -38.77 75.86 Favored 'General case' 0 C--O 1.22 -0.48 0 CA-C-N 115.592 -0.731 . . . . 73.11 111.204 178.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -65.44 -39.04 91.59 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 111.513 0.19 . . . . 72.4 111.513 -177.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.3 t -68.99 -42.94 82.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.202 -1.036 . . . . 61.15 108.202 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.8 mt -63.03 -40.16 96.89 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 116.021 -0.536 . . . . 45.35 110.591 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 66.7 m -58.84 -45.09 90.87 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 111.851 0.315 . . . . 72.44 111.851 176.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.56 -38.69 87.64 Favored 'General case' 0 C--O 1.24 0.585 0 C-N-CA 120.103 -0.639 . . . . 72.43 111.312 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.416 HD22 ' HB3' ' A' ' 50' ' ' ARG . 46.7 mt -67.07 -32.21 73.24 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-O 121.42 0.629 . . . . 73.04 111.815 179.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -61.86 -42.97 99.69 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 108.972 -0.751 . . . . 73.43 108.972 174.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.9 98.5 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 113.296 0.85 . . . . 73.42 113.296 -176.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -70.68 -25.4 62.96 Favored 'General case' 0 C--N 1.314 -0.968 0 O-C-N 121.531 -0.73 . . . . 64.02 112.627 -178.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.0 mm -86.33 -40.64 14.47 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 N-CA-C 114.029 1.122 . . . . 74.41 114.029 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.0 mt -88.81 -19.43 25.98 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.043 -0.526 . . . . 72.21 111.458 -176.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.9 23.87 68.28 Favored Glycine 0 C--O 1.239 0.43 0 N-CA-C 113.659 0.224 . . . . 50.04 113.659 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 31.3 m -98.19 157.61 3.51 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-O 121.494 0.664 . . . . 75.33 111.893 -175.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -65.32 -41.03 94.41 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-N 115.061 -0.972 . . . . 73.14 112.726 -174.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 59.9 mtm180 -144.61 160.06 41.78 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.306 -0.861 . . . . 74.32 109.517 -177.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 60.7 t -134.32 125.57 47.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 O-C-N 124.569 1.168 . . . . 71.22 107.871 176.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.92 161.4 30.56 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 109.151 -1.579 . . . . 65.24 109.151 176.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.0 m -66.98 -15.55 19.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 O-C-N 121.284 -1.127 . . . . 73.33 112.043 -178.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.4 18.65 13.59 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.186 0.517 . . . . 63.33 111.45 -178.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.85 136.82 40.17 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 120.054 -0.659 . . . . 73.22 110.04 -175.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.78 116.15 22.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.242 -0.436 . . . . 64.45 110.72 -177.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -50.93 -41.31 58.75 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.901 -0.591 . . . . 71.32 112.379 -179.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -74.21 -28.29 61.2 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.236 0.828 . . . . 75.44 113.236 -176.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -75.8 -34.77 60.18 Favored 'General case' 0 C--O 1.211 -0.922 0 N-CA-C 108.582 -0.895 . . . . 63.4 108.582 -176.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.9 mp -75.88 24.23 0.13 Allowed 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 114.788 -1.096 . . . . 71.51 112.487 178.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.23 15.81 60.08 Favored Glycine 0 CA--C 1.524 0.642 0 CA-C-O 121.881 0.711 . . . . 65.14 113.505 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.82 151.27 51.23 Favored Glycine 0 C--O 1.226 -0.393 0 CA-C-O 122.595 1.108 . . . . 74.51 114.6 -178.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 52.0 m -143.33 159.66 41.95 Favored 'General case' 0 C--O 1.217 -0.618 0 N-CA-C 108.29 -1.004 . . . . 72.21 108.29 -178.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.6 t -60.32 -36.03 76.99 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.688 0.756 . . . . 44.51 110.151 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.14 -38.6 91.12 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 121.719 -0.613 . . . . 64.53 111.801 177.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.4 mt -72.81 -30.14 63.82 Favored 'General case' 0 C--O 1.215 -0.721 0 O-C-N 122.329 -0.232 . . . . 71.22 110.696 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.27 -41.71 99.05 Favored 'General case' 0 C--O 1.207 -1.158 0 CA-C-O 121.437 0.637 . . . . 44.24 109.763 175.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 97.4 mmm -63.89 -36.51 84.17 Favored 'General case' 0 C--O 1.243 0.736 0 O-C-N 121.572 -0.705 . . . . 55.2 110.817 177.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -67.08 -41.64 86.03 Favored 'General case' 0 C--O 1.21 -1.012 0 CA-C-O 120.966 0.412 . . . . 65.11 111.807 176.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 45.0 tp -59.58 -45.55 91.54 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-O 121.164 0.507 . . . . 73.3 110.217 178.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 59.1 mt -59.69 -36.67 67.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 122.161 -0.337 . . . . 74.24 110.561 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.3 -42.6 99.5 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 120.502 -0.479 . . . . 65.24 111.143 178.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.416 ' HB3' HD22 ' A' ' 18' ' ' LEU . 25.5 mmt85 -67.67 -31.57 71.65 Favored 'General case' 0 C--O 1.209 -1.038 0 CA-C-O 121.348 0.594 . . . . 74.54 111.934 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.37 -31.61 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 N-CA-C 109.646 -0.502 . . . . 43.3 109.646 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -67.44 -28.85 68.23 Favored 'General case' 0 CA--C 1.513 -0.468 0 O-C-N 121.548 -0.72 . . . . 73.14 112.078 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -79.86 -39.23 31.03 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 109.106 -0.701 . . . . 73.33 109.106 -179.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -85.97 -48.49 8.64 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 115.522 1.675 . . . . 71.01 115.522 -173.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.8 mt -103.24 -6.24 22.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.528 -0.732 . . . . 74.02 110.784 -176.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.93 20.33 77.66 Favored Glycine 0 C--N 1.33 0.205 0 N-CA-C 115.97 1.148 . . . . 54.41 115.97 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.6 m -137.64 154.95 30.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.489 0.661 . . . . 74.43 110.887 -174.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -89.24 107.19 18.91 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.844 -0.798 . . . . 75.0 108.844 174.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -79.98 116.36 60.72 Favored Pre-proline 0 CA--C 1.556 1.187 0 N-CA-C 109.622 -0.51 . . . . 51.14 109.622 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -60.77 135.86 62.72 Favored 'Trans proline' 0 CA--C 1.549 1.265 0 N-CA-C 113.926 0.702 . . . . 74.11 113.926 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.1 tt -62.84 -23.2 32.34 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 O-C-N 121.808 -0.557 . . . . 72.13 111.157 179.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -60.63 -32.25 71.4 Favored 'General case' 0 C--O 1.207 -1.163 0 O-C-N 121.413 -0.804 . . . . 75.42 110.202 175.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.51 -38.86 71.09 Favored 'General case' 0 C--O 1.204 -1.337 0 N-CA-C 109.83 -0.433 . . . . 60.43 109.83 -178.033 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.3 mt -67.99 -41.54 82.16 Favored 'General case' 0 C--O 1.21 -1.005 0 CA-C-N 117.792 0.269 . . . . 62.42 110.882 176.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -66.88 -32.28 73.44 Favored 'General case' 0 C--O 1.211 -0.939 0 O-C-N 121.917 -0.489 . . . . 71.52 111.068 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.4 t -79.7 -25.95 41.04 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 121.458 0.647 . . . . 73.34 110.395 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.5 m -146.88 87.31 6.3 Favored Pre-proline 0 C--O 1.222 -0.37 0 CA-C-N 116.015 -0.539 . . . . 44.24 109.751 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -80.12 20.12 0.96 Allowed 'Trans proline' 0 CA--C 1.536 0.616 0 N-CA-C 116.971 1.873 . . . . 65.15 116.971 -175.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 41.4 p -114.37 153.7 46.5 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 107.446 -1.316 . . . . 42.51 107.446 177.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -68.31 -31.87 27.54 Favored 'Trans proline' 0 C--N 1.356 0.956 0 C-N-CA 116.71 -1.727 . . . . 71.02 114.172 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.51 -29.32 61.36 Favored 'General case' 0 C--O 1.239 0.527 0 O-C-N 121.09 -1.007 . . . . 60.12 111.621 175.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.1 -51.52 13.86 Favored Glycine 0 N--CA 1.441 -1.015 0 N-CA-C 109.58 -1.408 . . . . 74.21 109.58 -178.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.6 p -63.89 -32.93 59.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 O-C-N 122.445 -0.444 . . . . 51.32 111.558 -177.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.72 -48.46 77.7 Favored 'General case' 0 C--O 1.224 -0.261 0 N-CA-C 112.439 0.533 . . . . 61.41 112.439 176.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -76.4 -32.75 58.7 Favored 'General case' 0 C--O 1.242 0.667 0 C-N-CA 120.16 -0.616 . . . . 71.34 111.519 -178.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.38 -39.75 89.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.73 0.3 . . . . 71.3 110.684 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.6 pp -76.83 -28.79 55.66 Favored 'General case' 0 C--O 1.215 -0.757 0 O-C-N 121.649 -0.657 . . . . 71.13 110.436 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.68 -31.93 73.25 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 121.737 -0.602 . . . . 72.55 111.489 176.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.43 -19.06 65.7 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 115.965 -0.561 . . . . 55.13 112.439 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -58.61 -26.11 63.35 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 120.699 0.285 . . . . 73.12 111.202 178.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.6 m -63.81 -30.6 71.67 Favored 'General case' 0 C--O 1.218 -0.578 0 C-N-CA 122.683 0.393 . . . . 75.3 112.033 -178.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.39 -29.03 62.34 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.466 0.65 . . . . 73.31 109.945 178.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.5 m -94.01 18.26 10.92 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 113.017 0.747 . . . . 70.22 113.017 -176.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -82.51 -7.55 59.64 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 121.152 0.501 . . . . 74.13 112.157 -178.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.8 t -80.93 161.49 24.31 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 116.098 -0.501 . . . . 62.14 109.838 177.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -63.5 127.69 91.62 Favored Pre-proline 0 CA--C 1.539 0.527 0 N-CA-C 108.511 -0.922 . . . . 73.5 108.511 176.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -72.6 163.32 38.85 Favored 'Trans proline' 0 C--O 1.24 0.592 0 C-N-CA 117.605 -1.13 . . . . 74.31 111.29 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -62.27 143.32 57.02 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 109.104 -0.702 . . . . 70.24 109.104 177.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -64.49 155.89 31.37 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.978 -1.119 . . . . 74.42 107.978 173.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -112.21 177.82 4.51 Favored 'General case' 0 C--O 1.25 1.092 0 N-CA-C 109.471 -0.566 . . . . 74.23 109.471 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt . . . . . 0 C--O 1.255 1.347 0 N-CA-C 108.443 -0.947 . . . . 61.12 108.443 179.55 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.427 0 CA-C-O 118.782 -1.01 . . . . 61.14 111.295 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.51 170.07 21.06 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 105.786 -1.931 . . . . 61.43 105.786 178.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 62.2 ttp -68.36 138.21 55.21 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.342 -0.984 . . . . 74.02 108.342 177.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -71.19 141.57 50.67 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.138 -1.06 . . . . 64.14 108.138 175.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -66.92 164.99 16.35 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.956 0.408 . . . . 73.33 110.344 178.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.87 152.35 87.19 Favored Pre-proline 0 CA--C 1.541 0.623 0 N-CA-C 107.682 -1.229 . . . . 72.33 107.682 174.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.18 137.54 34.47 Favored 'Trans proline' 0 C--N 1.346 0.414 0 C-N-CA 115.312 -2.659 . . . . 62.42 110.415 177.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -59.97 117.23 4.83 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.155 -0.683 . . . . 72.45 109.155 -177.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.7 m -133.09 146.12 51.36 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.166 0.508 . . . . 73.01 112.042 -177.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.14 -26.69 68.3 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.918 -0.771 . . . . 53.42 108.918 174.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.5 m -56.34 -40.12 73.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.185 -0.916 . . . . 71.23 111.511 177.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -61.15 -40.54 94.24 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.065 0.394 . . . . 72.23 112.065 -177.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.96 -31.57 72.23 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.335 -0.853 . . . . 74.42 110.105 -177.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.0 t -68.57 -51.85 42.16 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.606 0 N-CA-C 109.528 -0.545 . . . . 73.41 109.528 -178.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 pp -70.79 -30.7 67.24 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.955 0.724 . . . . 73.05 112.955 -177.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.7 m -63.2 -46.18 88.23 Favored 'General case' 0 C--O 1.213 -0.858 0 O-C-N 122.174 -0.329 . . . . 54.34 110.873 173.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.91 -35.11 79.73 Favored 'General case' 0 C--O 1.207 -1.158 0 N-CA-C 109.125 -0.694 . . . . 73.34 109.125 178.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mp -65.33 -33.67 76.52 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.205 -0.452 . . . . 70.11 111.279 178.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -58.02 -48.18 80.84 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 106.752 -1.573 . . . . 71.34 106.752 174.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.02 85.58 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 112.998 0.74 . . . . 25.55 112.998 -174.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -70.82 -34.2 71.47 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 121.463 0.649 . . . . 73.52 110.733 -177.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.8 mm -83.21 -37.4 13.62 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.411 0 CA-C-N 114.992 -1.004 . . . . 71.32 113.425 -175.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.8 mt -91.01 -23.15 20.47 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 123.76 0.824 . . . . 62.52 112.47 -177.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.24 33.01 37.03 Favored Glycine 0 C--O 1.229 -0.191 0 C-N-CA 120.654 -0.784 . . . . 74.4 112.586 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.8 m -110.04 152.96 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-O 121.38 0.61 . . . . 74.42 111.162 -177.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -68.32 -38.25 81.36 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.846 1.795 . . . . 73.24 115.846 -173.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -144.61 160.83 40.53 Favored 'General case' 0 C--O 1.201 -1.476 0 N-CA-C 107.014 -1.476 . . . . 75.31 107.014 -178.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.1 t -137.24 127.42 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.657 0 O-C-N 124.173 0.921 . . . . 75.21 109.616 177.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.46 166.64 31.94 Favored Glycine 0 C--N 1.346 1.091 0 N-CA-C 110.469 -1.052 . . . . 74.34 110.469 175.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.411 HG22 ' H ' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -66.36 -26.36 37.63 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 CA-C-N 118.066 0.933 . . . . 73.05 112.567 178.651 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -106.39 16.62 24.5 Favored 'General case' 0 C--O 1.209 -1.074 0 CA-C-O 121.458 0.647 . . . . 73.43 112.179 -177.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.58 121.55 20.83 Favored 'General case' 0 C--N 1.33 -0.264 0 O-C-N 121.611 -0.681 . . . . 72.13 112.401 -176.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.76 125.31 28.49 Favored 'General case' 0 C--O 1.214 -0.774 0 CA-C-O 122.182 0.992 . . . . 41.32 109.414 -177.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -55.35 -38.51 68.88 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.767 -0.651 . . . . 71.21 111.431 -178.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 -78.47 -22.47 47.51 Favored 'General case' 0 C--O 1.224 -0.27 0 N-CA-C 113.338 0.866 . . . . 72.34 113.338 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -78.35 -29.73 47.69 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.1 -1.074 . . . . 53.3 108.1 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 65.6 mt -76.59 14.29 0.82 Allowed 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.893 -1.049 . . . . 74.1 111.238 173.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.19 2.22 74.45 Favored Glycine 0 C--O 1.215 -1.07 0 N-CA-C 116.109 1.204 . . . . 74.33 116.109 177.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.09 154.3 52.58 Favored Glycine 0 C--N 1.316 -0.561 0 CA-C-O 122.8 1.222 . . . . 55.11 114.05 -178.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.7 m -137.62 163.67 30.67 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.834 -1.173 . . . . 75.44 107.834 -177.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.6 m -57.01 -36.16 70.09 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.06 0.763 . . . . 64.1 113.06 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.51 -35.4 77.43 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.368 0.604 . . . . 64.21 110.806 177.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.3 tp -72.14 -34.35 68.47 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.676 -0.49 . . . . 74.35 109.676 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.41 -30.8 65.25 Favored 'General case' 0 C--O 1.199 -1.594 0 CA-C-O 121.138 0.494 . . . . 73.14 112.122 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 91.4 mtp -64.26 -31.43 72.63 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 121.887 -0.508 . . . . 71.44 111.147 176.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -75.06 -33.73 61.74 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 121.244 -0.91 . . . . 72.1 109.185 177.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 53.8 tp -63.15 -45.79 90.25 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 108.592 -0.892 . . . . 73.44 108.592 176.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 76.9 mt -61.35 -43.76 97.23 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 N-CA-C 109.347 -0.612 . . . . 73.12 109.347 179.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.38 -43.47 88.47 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 121.075 -0.25 . . . . 73.01 110.831 177.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.55 -34.08 77.1 Favored 'General case' 0 C--O 1.204 -1.297 0 N-CA-C 112.298 0.481 . . . . 75.54 112.298 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.2 mt -66.32 -30.38 49.66 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.246 0 N-CA-C 106.921 -1.511 . . . . 52.21 106.921 -177.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.41 ' HE ' ' CG ' ' A' ' 58' ' ' ASP . 4.5 mtp-105 -65.68 -31.38 72.36 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.237 -0.915 . . . . 64.24 111.214 178.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -78.66 -36.5 43.72 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.5 -1.296 . . . . 55.21 107.5 -174.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -87.56 -41.92 13.11 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 114.358 1.244 . . . . 71.03 114.358 -175.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 67.5 mt -112.62 -5.67 13.97 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 123.217 0.607 . . . . 75.1 110.984 -171.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.69 18.74 77.53 Favored Glycine 0 N--CA 1.466 0.682 0 N-CA-C 115.619 1.008 . . . . 70.22 115.619 178.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 28.9 m -135.25 146.71 29.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-N 118.22 1.01 . . . . 63.42 112.26 -177.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.41 ' CG ' ' HE ' ' A' ' 52' ' ' ARG . 2.2 m-20 -79.21 108.43 12.7 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 106.944 -1.502 . . . . 72.12 106.944 172.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -62.42 122.16 71.58 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 109.102 -0.703 . . . . 62.42 109.102 -178.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.02 118.43 5.31 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 120.174 0.582 . . . . 42.44 111.77 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.7 tt -59.56 -25.82 32.67 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.759 0 O-C-N 121.803 -0.561 . . . . 71.24 111.731 -177.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 46.8 ttm-85 -63.84 -36.81 85.13 Favored 'General case' 0 C--O 1.214 -0.782 0 O-C-N 121.417 -0.802 . . . . 74.52 111.521 175.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -70.33 -37.22 74.64 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.017 -0.364 . . . . 65.23 110.017 179.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 mt -62.75 -47.41 83.65 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.266 -0.425 . . . . 74.51 111.029 176.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -73.47 -25.03 60.29 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.609 0.596 . . . . 74.14 112.609 -178.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 27.2 t -69.53 -32.86 71.94 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.238 0.542 . . . . 63.21 110.547 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.7 m -149.84 87.92 4.98 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 109.72 -0.474 . . . . 72.31 109.72 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_endo -75.51 40.22 0.68 Allowed 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 122.126 1.884 . . . . 73.05 116.8 -174.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.7 p -127.11 153.21 76.65 Favored Pre-proline 0 CA--C 1.507 -0.704 0 N-CA-C 105.623 -1.991 . . . . 62.24 105.623 175.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.59 -39.45 44.23 Favored 'Trans proline' 0 CA--C 1.537 0.665 0 C-N-CA 115.778 -2.348 . . . . 74.41 115.001 -175.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.98 -31.81 68.47 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 122.324 1.059 . . . . 71.53 110.133 177.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -63.63 -46.5 92.02 Favored Glycine 0 C--O 1.216 -0.989 0 N-CA-C 109.683 -1.367 . . . . 65.31 109.683 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 88.0 t -63.93 -44.26 97.92 Favored 'Isoleucine or valine' 0 C--O 1.29 3.235 0 CA-C-N 118.186 0.993 . . . . 74.43 110.196 178.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.14 -49.6 75.42 Favored 'General case' 0 C--O 1.215 -0.725 0 O-C-N 120.318 -1.489 . . . . 75.52 111.499 178.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 38.3 ptt85 -71.92 -29.97 64.86 Favored 'General case' 0 C--N 1.305 -1.364 0 O-C-N 121.303 -0.873 . . . . 73.03 110.749 -178.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.38 -44.05 76.0 Favored 'General case' 0 CA--C 1.507 -0.685 0 C-N-CA 120.519 -0.472 . . . . 31.13 111.946 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.6 pp -72.83 -30.91 64.4 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.714 -0.476 . . . . 74.31 109.714 179.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.7 -42.07 98.03 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 121.396 0.617 . . . . 63.52 110.102 175.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.72 -36.88 85.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.007 0.432 . . . . 74.21 110.38 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -63.86 -39.8 95.07 Favored 'General case' 0 C--O 1.218 -0.555 0 N-CA-C 110.046 -0.353 . . . . 74.31 110.046 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 23.0 t -71.37 -33.42 69.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 118.201 0.455 . . . . 65.13 111.676 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.89 -39.61 83.61 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.358 0.599 . . . . 75.14 110.747 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.4 p -80.36 -12.61 59.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.972 -0.558 . . . . 73.31 112.252 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 42.5 m95 -131.74 67.93 1.51 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.629 -0.878 . . . . 71.4 108.629 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.95 -31.84 72.22 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.967 -1.015 . . . . 43.5 110.5 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -93.32 132.16 31.1 Favored Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 105.961 -1.866 . . . . 72.13 105.961 170.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.81 148.93 59.34 Favored 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 116.435 -1.91 . . . . 54.11 113.778 -176.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -82.21 158.49 23.54 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.506 -0.924 . . . . 74.1 108.506 175.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -109.57 155.67 21.12 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 104.875 -2.269 . . . . 71.13 104.875 165.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -151.96 167.8 27.22 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 104.366 -2.457 . . . . 74.22 104.366 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? . . . . . 0 C--O 1.241 0.635 0 N-CA-C 108.718 -0.845 . . . . 73.55 108.718 -179.566 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 CA-C-O 118.858 -0.968 . . . . 50.51 111.158 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.28 147.28 51.5 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 107.45 -1.315 . . . . 60.12 107.45 176.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.7 ptp -72.18 146.36 47.43 Favored 'General case' 0 C--O 1.239 0.52 0 CA-C-O 121.115 0.483 . . . . 62.33 110.17 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.18 153.99 31.52 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 107.998 -1.112 . . . . 60.14 107.998 178.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -85.97 140.91 29.91 Favored 'General case' 0 C--O 1.224 -0.274 0 N-CA-C 107.901 -1.148 . . . . 73.44 107.901 176.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.52 151.18 96.76 Favored Pre-proline 0 CA--C 1.543 0.708 0 N-CA-C 108.789 -0.819 . . . . 45.0 108.789 177.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -70.82 162.71 41.65 Favored 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 118.216 -0.723 . . . . 54.25 113.519 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -69.04 129.29 39.51 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.122 -0.49 . . . . 74.13 109.873 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.9 m -89.23 153.32 21.01 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.54 -0.541 . . . . 72.12 109.54 178.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.07 -25.91 64.17 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 113.563 0.949 . . . . 64.11 113.563 -177.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -33.28 74.49 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.92 -0.487 . . . . 75.31 112.151 178.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -63.04 -42.36 99.72 Favored 'General case' 0 CA--C 1.506 -0.722 0 CA-C-O 120.707 0.289 . . . . 72.4 111.406 -170.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -69.16 -26.33 64.81 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 113.214 0.82 . . . . 65.51 113.214 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.6 t -71.12 -45.68 70.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 106.385 -1.709 . . . . 74.24 106.385 178.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.7 mt -66.39 -37.3 84.94 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.54 -0.755 . . . . 75.53 111.623 -179.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.9 m -56.65 -44.13 81.03 Favored 'General case' 0 C--O 1.217 -0.612 0 C-N-CA 120.864 -0.334 . . . . 75.5 110.131 174.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.06 -38.01 81.94 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 121.252 -0.905 . . . . 63.42 111.822 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.5 mt -64.1 -33.56 76.04 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 122.109 -0.369 . . . . 71.44 111.316 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -64.73 -47.48 78.12 Favored 'General case' 0 C--O 1.21 -1.013 0 N-CA-C 106.548 -1.649 . . . . 65.33 106.548 177.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -57.81 -44.08 86.11 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 111.849 0.315 . . . . 35.42 111.849 -177.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -58.21 -44.04 87.96 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 122.019 0.914 . . . . 75.44 112.046 -177.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.7 mt -84.06 -40.29 15.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 114.938 -1.028 . . . . 73.53 111.432 -171.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.9 mt -81.47 -22.37 38.13 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 122.566 0.347 . . . . 62.04 111.293 -175.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.59 25.4 70.16 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.445 -0.884 . . . . 63.13 112.528 179.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.7 m -100.02 151.72 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.666 0.746 . . . . 63.42 109.581 -178.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -67.28 -39.89 86.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.992 -0.549 . . . . 74.11 112.435 -174.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.8 mmt-85 -141.12 166.95 23.38 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-O 121.133 0.492 . . . . 74.3 111.08 -179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.7 t -145.3 127.41 9.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.437 0 CA-C-N 114.253 -1.34 . . . . 72.11 108.35 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.5 170.06 45.99 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 109.484 -1.446 . . . . 43.42 109.484 175.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -74.88 -24.11 17.9 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.432 0 CA-C-O 122.992 1.377 . . . . 75.45 111.509 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -107.2 16.53 23.97 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-N 113.51 -1.677 . . . . 75.12 110.835 -178.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.24 129.77 35.47 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.192 0.441 . . . . 73.42 112.192 -172.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.41 121.82 25.63 Favored 'General case' 0 C--O 1.212 -0.884 0 CA-C-O 121.811 0.815 . . . . 44.52 110.594 -177.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -51.76 -39.89 59.33 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.185 -0.916 . . . . 72.11 111.977 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.9 p-80 -81.9 -20.26 39.14 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.269 0.84 . . . . 72.43 113.269 -177.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -77.18 -31.76 55.65 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 106.971 -1.492 . . . . 74.15 106.971 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 53.0 mt -76.96 16.64 0.52 Allowed 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 114.321 -1.309 . . . . 74.53 112.565 174.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.77 4.82 69.32 Favored Glycine 0 C--O 1.237 0.326 0 N-CA-C 115.487 0.955 . . . . 74.31 115.487 177.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.87 158.63 53.41 Favored Glycine 0 C--O 1.217 -0.93 0 CA-C-O 122.252 0.918 . . . . 71.12 114.177 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.3 t -144.85 167.19 23.2 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 114.881 -0.659 . . . . 74.41 109.284 -178.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.0 m -58.39 -30.68 67.01 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.138 0.494 . . . . 62.1 111.46 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.49 -39.81 92.35 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.028 -0.533 . . . . 51.42 110.312 177.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.3 mt -78.29 -25.65 46.74 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.599 -0.273 . . . . 74.2 111.244 -178.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.61 -32.06 70.06 Favored 'General case' 0 C--O 1.217 -0.644 0 O-C-N 122.135 -0.353 . . . . 73.43 110.357 175.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.8 mmt -66.13 -32.03 73.24 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 120.891 0.377 . . . . 74.45 111.19 177.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -72.47 -37.23 68.54 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.49 -0.93 . . . . 74.44 108.49 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.0 tp -67.27 -44.45 79.32 Favored 'General case' 0 C--N 1.318 -0.79 0 O-C-N 124.536 1.147 . . . . 74.32 108.107 -178.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.7 mt -59.76 -38.29 75.3 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 109.27 -0.641 . . . . 75.45 109.27 178.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.99 -45.54 81.25 Favored 'General case' 0 C--O 1.199 -1.555 0 O-C-N 122.017 -0.427 . . . . 74.44 111.513 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -67.88 -33.5 74.85 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-O 120.915 0.388 . . . . 72.22 111.716 -177.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.4 mt -55.16 -36.59 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-O 121.278 0.561 . . . . 71.13 110.021 177.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 82.8 mtt-85 -64.58 -30.37 71.4 Favored 'General case' 0 C--O 1.209 -1.032 0 O-C-N 121.809 -0.557 . . . . 64.43 112.144 -177.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -82.06 -38.58 24.7 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 107.575 -1.268 . . . . 73.31 107.575 -175.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -86.1 -36.82 19.38 Favored 'General case' 0 C--O 1.244 0.785 0 N-CA-C 114.514 1.302 . . . . 61.03 114.514 -173.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.1 mt -113.92 -6.73 13.19 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.861 -0.524 . . . . 72.5 109.904 -173.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.16 21.23 77.03 Favored Glycine 0 C--N 1.334 0.431 0 N-CA-C 116.15 1.22 . . . . 31.32 116.15 178.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.1 m -140.33 163.5 23.3 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.615 0 CA-C-N 117.713 0.756 . . . . 74.11 111.749 -175.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -86.65 141.89 28.63 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 107.713 -1.218 . . . . 72.35 107.713 172.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.0 tp -104.99 120.39 50.1 Favored Pre-proline 0 C--N 1.321 -0.642 0 O-C-N 121.998 -0.439 . . . . 75.24 110.246 174.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.88 136.33 72.89 Favored 'Trans proline' 0 CA--C 1.53 0.313 0 N-CA-C 110.499 -0.616 . . . . 61.42 110.499 170.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.3 tt -65.72 -21.99 29.99 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 O-C-N 121.222 -0.924 . . . . 43.12 110.733 179.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.6 ttt85 -62.5 -32.16 73.02 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 121.749 -0.594 . . . . 74.15 110.543 176.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.07 -45.13 94.88 Favored 'General case' 0 C--O 1.219 -0.548 0 O-C-N 123.266 0.354 . . . . 65.23 110.218 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.7 mt -67.15 -41.42 86.07 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 112.01 0.374 . . . . 73.4 112.01 178.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -69.76 -28.11 65.49 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 119.962 -0.695 . . . . 63.05 112.295 -178.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.3 m -82.92 -19.89 36.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.125 0.488 . . . . 61.44 110.762 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.6 m -151.36 85.25 5.0 Favored Pre-proline 0 C--N 1.324 -0.523 0 N-CA-C 109.717 -0.475 . . . . 73.12 109.717 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -78.66 18.26 1.0 Allowed 'Trans proline' 0 C--N 1.346 0.401 0 N-CA-C 115.599 1.346 . . . . 73.01 115.599 -174.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 73.3 p -113.77 154.63 45.77 Favored Pre-proline 0 C--O 1.242 0.664 0 N-CA-C 108.694 -0.854 . . . . 75.25 108.694 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -68.89 -32.29 22.74 Favored 'Trans proline' 0 CA--C 1.541 0.86 0 C-N-CA 115.966 -2.223 . . . . 53.13 113.264 -175.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.11 -35.52 64.15 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 121.443 -0.785 . . . . 73.23 110.647 176.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -64.79 -50.73 56.96 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.496 -0.859 . . . . 50.32 110.956 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.3 p -65.44 -32.72 59.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 122.831 -0.217 . . . . 71.44 110.666 -177.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.11 -46.73 87.75 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 122.276 1.036 . . . . 62.25 111.571 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -75.05 -32.03 61.45 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-N 115.195 -0.911 . . . . 72.01 109.74 -177.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.25 -41.45 73.51 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.578 0.585 . . . . 53.4 112.578 177.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.0 pp -75.23 -28.52 59.94 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 122.329 -0.232 . . . . 60.14 111.109 -177.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.92 -33.44 68.79 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.059 0.457 . . . . 74.04 110.704 177.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.53 -20.84 64.58 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 113.301 0.852 . . . . 65.33 113.301 179.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt -64.17 -20.08 65.75 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 118.306 0.503 . . . . 73.45 110.984 -178.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 18.3 m -66.93 -30.85 71.1 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.809 -0.357 . . . . 73.51 111.912 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.24 -37.74 63.71 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 107.813 -1.18 . . . . 73.51 107.813 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.5 m -78.16 3.41 15.2 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.866 -1.061 . . . . 71.33 113.686 -178.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 9.3 t90 -79.26 -23.49 43.62 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.796 0.808 . . . . 73.21 109.351 178.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 96.2 p -73.66 155.33 39.13 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.097 -0.705 . . . . 72.21 109.097 177.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -62.94 143.75 97.26 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.591 -0.277 . . . . 73.02 110.608 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -71.23 170.76 17.47 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 O-C-N 121.74 0.337 . . . . 73.32 111.882 175.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -63.58 -34.2 77.28 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 112.642 0.608 . . . . 71.4 112.642 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -105.19 111.15 23.8 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 107.15 -1.426 . . . . 72.41 107.15 175.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -135.33 159.95 39.95 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 104.854 -2.276 . . . . 63.52 104.854 -178.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.102 0 N-CA-C 108.986 -0.746 . . . . 74.01 108.986 -178.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.17 0 CA-C-O 118.538 -1.145 . . . . 41.43 111.021 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.02 159.01 24.07 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 106.756 -1.572 . . . . 73.31 106.756 175.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.7 mtt -68.0 135.69 52.72 Favored 'General case' 0 C--O 1.247 0.967 0 N-CA-C 108.844 -0.799 . . . . 71.53 108.844 178.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.34 133.36 42.54 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 107.587 -1.264 . . . . 52.1 107.587 173.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.1 tptt -87.38 146.6 25.81 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 107.71 -1.219 . . . . 64.12 107.71 177.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.09 158.82 79.96 Favored Pre-proline 0 CA--C 1.541 0.615 0 N-CA-C 107.386 -1.339 . . . . 74.01 107.386 176.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.18 140.67 65.93 Favored 'Trans proline' 0 C--O 1.247 0.972 0 C-N-CA 115.261 -2.692 . . . . 73.21 111.087 177.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -66.54 130.33 42.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 122.002 0.906 . . . . 54.0 110.651 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.9 t -93.46 147.36 23.03 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.442 -0.948 . . . . 73.2 108.442 179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.03 -36.04 69.99 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.718 0.77 . . . . 74.34 109.739 178.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.25 -41.86 97.64 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.673 0.62 . . . . 63.23 112.673 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -63.36 -36.79 84.88 Favored 'General case' 0 CA--C 1.515 -0.368 0 O-C-N 121.832 -0.543 . . . . 73.13 110.154 -179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -66.54 -39.9 88.82 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.025 -0.534 . . . . 74.11 111.077 -178.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.5 t -65.59 -52.77 46.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.539 0 N-CA-C 107.107 -1.442 . . . . 63.14 107.107 178.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.4 mt -58.28 -41.9 85.38 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.626 0.602 . . . . 73.54 112.626 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 m -58.66 -44.24 90.11 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 112.327 0.492 . . . . 72.55 112.327 175.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.2 -40.77 77.84 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.509 -0.476 . . . . 65.55 111.346 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.5 mt -67.15 -31.04 71.19 Favored 'General case' 0 C--O 1.219 -0.537 0 C-N-CA 120.353 -0.539 . . . . 55.52 111.396 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -57.67 -45.68 85.26 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 108.08 -1.081 . . . . 73.42 108.08 173.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.54 93.33 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 112.557 0.577 . . . . 43.33 112.557 -177.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.1 mt-10 -65.07 -36.72 85.24 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 121.775 0.798 . . . . 63.24 112.445 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.6 mm -86.43 -37.86 11.94 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 N-CA-C 113.23 0.826 . . . . 74.5 113.23 -173.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.9 mt -87.89 -21.54 24.91 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 116.206 -0.452 . . . . 54.44 111.781 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.93 30.56 59.18 Favored Glycine 0 C--O 1.237 0.301 0 C-N-CA 121.117 -0.563 . . . . 71.21 112.269 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.1 m -104.35 151.27 6.96 Favored 'Isoleucine or valine' 0 C--O 1.242 0.693 0 CA-C-O 121.839 0.828 . . . . 45.12 110.783 -178.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -63.01 -30.55 71.69 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 115.849 1.796 . . . . 70.3 115.849 -173.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.4 ttt-85 -154.67 162.47 41.11 Favored 'General case' 0 CA--C 1.512 -0.514 0 N-CA-C 107.914 -1.143 . . . . 74.53 107.914 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.4 t -136.94 134.43 48.15 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 N-CA-C 107.874 -1.158 . . . . 64.23 107.874 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.01 164.07 33.66 Favored Glycine 0 N--CA 1.465 0.602 0 N-CA-C 108.591 -1.803 . . . . 74.11 108.591 173.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.5 m -69.69 -21.44 24.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 O-C-N 120.541 -1.564 . . . . 72.42 110.823 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -109.6 17.28 21.5 Favored 'General case' 0 N--CA 1.442 -0.868 0 CA-C-O 121.196 0.522 . . . . 72.25 110.049 -176.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.96 125.14 30.42 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.966 -0.753 . . . . 65.14 108.966 -173.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.05 130.87 35.98 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 122.107 0.956 . . . . 60.32 111.359 -174.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -54.42 -40.39 68.25 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 115.103 -0.953 . . . . 74.32 111.728 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 8.9 p-80 -79.34 -20.28 48.23 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.145 0.794 . . . . 72.32 113.145 -178.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -76.09 -35.33 59.41 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 107.053 -1.462 . . . . 74.4 107.053 -179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.1 mt -78.94 15.55 1.08 Allowed 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 113.987 -1.46 . . . . 72.41 112.116 176.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.32 12.56 59.73 Favored Glycine 0 CA--C 1.519 0.332 0 N-CA-C 115.682 1.033 . . . . 72.32 115.682 176.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.63 165.44 54.36 Favored Glycine 0 C--N 1.319 -0.379 0 CA-C-O 122.332 0.962 . . . . 72.3 114.698 -178.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 85.3 p -150.15 165.89 31.49 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.657 -0.868 . . . . 50.31 108.657 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 m -58.4 -34.71 71.03 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-O 121.606 0.717 . . . . 73.23 111.028 178.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.17 -44.1 76.71 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.663 0.744 . . . . 53.51 111.353 178.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.3 tp -66.24 -36.72 83.74 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.682 -0.69 . . . . 70.13 109.581 -179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.3 -29.24 63.74 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-N 115.554 -0.748 . . . . 61.24 112.498 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 91.8 mtp -59.43 -35.28 73.72 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 121.917 -0.489 . . . . 75.44 110.801 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.87 -34.55 62.27 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-O 121.223 0.535 . . . . 73.45 110.092 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 64.3 tp -64.04 -45.54 88.41 Favored 'General case' 0 C--O 1.212 -0.876 0 N-CA-C 107.647 -1.242 . . . . 74.11 107.647 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 64.5 mt -61.17 -41.11 88.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.567 -0.531 . . . . 75.12 109.567 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.0 -42.55 99.88 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.574 -0.285 . . . . 43.14 110.454 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -63.34 -37.96 89.3 Favored 'General case' 0 C--O 1.185 -2.306 0 CA-C-O 121.997 0.903 . . . . 74.12 110.682 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.4 mt -61.44 -30.84 48.91 Favored 'Isoleucine or valine' 0 N--CA 1.387 -3.58 0 CA-C-O 122.878 1.323 . . . . 71.32 110.393 -176.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -65.5 -29.24 69.86 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 115.244 -0.889 . . . . 60.31 113.149 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -77.59 -37.99 49.21 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 108.582 -0.896 . . . . 75.33 108.582 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -91.52 -41.36 10.85 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 115.056 1.502 . . . . 74.32 115.056 -171.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 70.7 mt -103.22 -2.78 26.69 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 121.116 -0.99 . . . . 73.44 109.484 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.53 16.95 70.24 Favored Glycine 0 C--N 1.335 0.493 0 N-CA-C 116.715 1.446 . . . . 55.44 116.715 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.4 m -139.69 156.51 26.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.249 0.547 . . . . 74.33 110.971 -174.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -86.37 110.44 19.69 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.453 -0.573 . . . . 62.03 109.453 177.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -65.76 120.08 65.89 Favored Pre-proline 0 CA--C 1.543 0.71 0 CA-C-O 121.192 0.52 . . . . 71.4 111.454 -175.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.432 ' HB2' HE21 ' A' ' 63' ' ' GLN . 26.1 Cg_exo -62.78 116.42 3.53 Favored 'Trans proline' 0 C--N 1.346 0.427 0 N-CA-C 112.751 0.25 . . . . 71.55 112.751 177.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.0 tt -56.46 -25.96 21.81 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.038 0 N-CA-C 112.741 0.645 . . . . 71.34 112.741 -176.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -60.85 -42.47 97.87 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.041 0.756 . . . . 74.43 113.041 172.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.432 HE21 ' HB2' ' A' ' 60' ' ' PRO . 1.2 mp0 -68.88 -39.13 79.95 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.654 -0.869 . . . . 72.45 108.654 -178.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.46 -44.92 93.06 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-N 116.287 -0.415 . . . . 61.43 111.174 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -75.27 -25.13 57.77 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 121.016 -1.053 . . . . 72.33 112.878 -179.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 59.6 m -75.38 -26.09 58.21 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.815 0.817 . . . . 72.14 110.657 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.7 m -147.03 79.94 9.71 Favored Pre-proline 0 CA--C 1.533 0.3 0 CA-C-N 115.327 -0.851 . . . . 74.11 109.957 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -77.65 40.83 0.89 Allowed 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 122.397 2.065 . . . . 63.14 116.945 -173.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 17.6 p -124.95 157.41 66.74 Favored Pre-proline 0 N--CA 1.476 0.829 0 N-CA-C 104.562 -2.384 . . . . 70.22 104.562 175.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -67.7 -34.0 26.13 Favored 'Trans proline' 0 CA--C 1.541 0.865 0 C-N-CA 114.71 -3.06 . . . . 72.44 113.5 -176.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.99 -35.58 69.53 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 120.779 -1.201 . . . . 71.31 110.245 174.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.42 -46.49 94.25 Favored Glycine 0 N--CA 1.444 -0.768 0 N-CA-C 109.852 -1.299 . . . . 73.03 109.852 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 66.4 t -60.72 -40.45 84.92 Favored 'Isoleucine or valine' 0 C--O 1.273 2.293 0 CA-C-N 117.787 0.793 . . . . 74.32 109.535 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.39 98.78 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 114.014 1.116 . . . . 75.34 114.014 178.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -74.24 -35.49 63.84 Favored 'General case' 0 C--N 1.281 -2.386 0 N-CA-C 114.988 1.477 . . . . 60.22 114.988 178.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.03 -45.59 91.57 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 109.927 -0.398 . . . . 72.4 109.927 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 pp -75.31 -28.27 59.63 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 120.994 -0.283 . . . . 71.12 110.561 -178.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.02 -23.14 67.31 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 112.711 0.634 . . . . 33.05 112.711 178.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.99 -34.01 72.75 Favored 'General case' 0 C--O 1.217 -0.635 0 CA-C-O 121.06 0.457 . . . . 43.3 110.713 175.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -79.26 -35.71 41.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 121.959 -0.463 . . . . 74.05 109.887 177.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.1 m -65.4 -25.91 67.76 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 122.449 0.299 . . . . 74.15 111.47 -178.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.41 -13.88 34.4 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 112.334 0.494 . . . . 71.03 112.334 177.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.7 m -72.31 -10.32 59.63 Favored 'General case' 0 C--O 1.22 -0.498 0 N-CA-C 112.651 0.612 . . . . 73.05 112.651 177.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 11.8 t-105 50.97 80.57 0.08 Allowed 'General case' 0 CA--C 1.546 0.825 0 CA-C-O 122.605 1.193 . . . . 72.41 113.89 178.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.0 t -76.98 177.51 7.7 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.532 -0.758 . . . . 72.31 110.022 176.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -65.49 149.38 97.27 Favored Pre-proline 0 C--N 1.321 -0.647 0 N-CA-C 108.853 -0.795 . . . . 72.13 108.853 177.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -77.9 156.99 31.03 Favored 'Trans proline' 0 N--CA 1.46 -0.461 0 C-N-CA 116.815 -1.656 . . . . 73.13 112.069 179.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -148.72 140.05 23.3 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 104.983 -2.228 . . . . 73.03 104.983 176.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -92.48 143.31 26.48 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 120.955 0.407 . . . . 72.42 111.336 -179.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.478 ' H ' ' CD ' ' A' ' 90' ' ' GLU . 2.3 pm0 -75.8 172.12 13.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.684 -0.689 . . . . 75.22 110.3 174.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.961 0 N-CA-C 104.626 -2.361 . . . . 55.12 104.626 -179.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.667 0 CA-C-O 118.916 -0.935 . . . . 61.53 111.35 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.63 144.87 55.33 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.583 -1.265 . . . . 72.2 107.583 176.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.8 tpt -72.01 136.81 46.85 Favored 'General case' 0 C--O 1.245 0.818 0 CA-C-O 120.917 0.389 . . . . 74.11 110.189 -179.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.1 145.78 46.23 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 108.505 -0.924 . . . . 50.22 108.505 176.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -83.44 137.35 33.95 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 108.18 -1.044 . . . . 73.45 108.18 178.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -79.04 154.93 77.65 Favored Pre-proline 0 C--O 1.244 0.798 0 N-CA-C 105.402 -2.073 . . . . 62.04 105.402 175.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -73.56 159.27 46.4 Favored 'Trans proline' 0 C--O 1.242 0.723 0 C-N-CA 116.783 -1.678 . . . . 61.01 111.7 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -71.71 135.76 46.94 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.3 0.572 . . . . 65.03 110.005 177.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.5 t -83.49 153.69 24.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.262 0.553 . . . . 63.12 111.117 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.75 -31.0 69.24 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-O 121.776 0.798 . . . . 64.45 110.126 175.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 m -63.44 -37.54 87.69 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 121.609 -0.682 . . . . 50.21 111.693 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -64.19 -35.56 81.2 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.898 -0.502 . . . . 74.03 111.318 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -61.49 -44.27 97.39 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.536 0.684 . . . . 72.52 110.881 178.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 76.1 t -65.4 -50.13 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.845 0 N-CA-C 107.095 -1.446 . . . . 65.33 107.095 -176.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.6 mt -61.22 -40.1 92.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.189 -0.46 . . . . 53.34 111.204 -177.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.1 m -59.46 -43.18 93.25 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 121.731 -0.605 . . . . 74.13 112.275 175.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.25 -37.56 74.97 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.396 0.517 . . . . 65.51 112.396 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.0 mt -63.41 -34.83 78.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.052 0.453 . . . . 72.35 111.305 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -61.11 -46.8 89.14 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 109.446 -0.576 . . . . 70.41 109.446 176.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.7 91.84 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 113.461 0.911 . . . . 60.45 113.461 -175.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -60.33 -47.97 83.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.867 0.842 . . . . 75.25 110.822 -177.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 69.7 mt -83.2 -38.15 14.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 115.211 -0.904 . . . . 65.24 112.793 -169.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.2 mt -81.09 -20.05 42.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.562 -0.29 . . . . 75.44 110.874 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 68.61 29.49 72.84 Favored Glycine 0 N--CA 1.461 0.302 0 C-N-CA 121.245 -0.502 . . . . 60.21 112.935 178.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.5 m -97.95 155.27 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 CA-C-O 121.507 0.67 . . . . 73.32 110.726 -177.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -62.95 -37.46 87.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.936 -1.029 . . . . 44.55 112.33 -174.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -153.4 161.67 42.06 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.963 -0.754 . . . . 61.42 108.963 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 52.9 t -130.96 127.9 61.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 N-CA-C 107.892 -1.151 . . . . 53.45 107.892 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -86.23 163.12 35.69 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 108.727 -1.749 . . . . 54.4 108.727 173.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -70.38 -25.55 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 O-C-N 120.633 -1.51 . . . . 74.13 110.787 178.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -104.6 14.62 29.55 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.493 -0.776 . . . . 63.25 111.451 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -80.45 126.0 30.65 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 109.416 -0.586 . . . . 75.21 109.416 -174.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.94 135.3 36.91 Favored 'General case' 0 C--O 1.213 -0.816 0 O-C-N 121.306 -0.871 . . . . 70.25 111.026 -176.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.1 t80 -54.13 -35.44 62.19 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.26 -0.882 . . . . 73.04 111.726 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.5 p-80 -85.09 -18.38 34.45 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.851 0.686 . . . . 51.21 112.851 -178.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -78.31 -34.59 48.57 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 106.224 -1.769 . . . . 73.14 106.224 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.1 mt -77.42 12.83 1.39 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 113.731 -1.577 . . . . 63.32 111.461 174.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.85 5.98 67.83 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 117.908 1.923 . . . . 63.24 117.908 174.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.09 109.85 3.49 Favored Glycine 0 N--CA 1.463 0.499 0 N-CA-C 118.354 2.102 . . . . 74.43 118.354 -175.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.8 m -78.16 161.93 26.99 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 122.082 -0.658 . . . . 70.3 111.515 175.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 m -57.24 -25.86 59.82 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 114.759 1.392 . . . . 61.24 114.759 -178.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.57 -32.9 70.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 121.433 -0.792 . . . . 73.44 110.75 177.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.8 tp -73.71 -30.0 62.59 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.77 -0.65 . . . . 52.44 109.847 179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -55.42 -31.19 61.67 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.012 0.745 . . . . 73.45 113.012 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 19.3 mmt -62.08 -29.19 70.14 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-O 121.649 0.738 . . . . 73.33 111.756 178.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -76.99 -32.44 57.21 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.027 -1.101 . . . . 74.22 108.027 -177.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 66.5 tp -69.38 -43.47 73.48 Favored 'General case' 0 C--O 1.213 -0.855 0 N-CA-C 108.752 -0.832 . . . . 65.04 108.752 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.6 mt -61.56 -39.3 82.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.358 -0.608 . . . . 75.2 109.358 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.52 -42.22 95.91 Favored 'General case' 0 C--N 1.313 -0.993 0 O-C-N 122.322 -0.236 . . . . 63.41 111.275 176.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -36.89 82.41 Favored 'General case' 0 C--O 1.191 -2.002 0 CA-C-O 121.842 0.829 . . . . 72.05 111.922 177.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 57.9 mt -60.51 -31.18 48.19 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.751 0 CA-C-O 122.96 1.362 . . . . 74.12 110.874 -176.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 15.4 mtt-85 -65.16 -31.35 72.5 Favored 'General case' 0 CA--C 1.509 -0.619 0 N-CA-C 113.362 0.875 . . . . 75.42 113.362 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -75.71 -37.72 59.2 Favored 'General case' 0 CA--C 1.504 -0.789 0 N-CA-C 109.373 -0.602 . . . . 73.31 109.373 -176.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -86.76 -50.62 6.63 Favored 'General case' 0 C--O 1.246 0.891 0 N-CA-C 114.332 1.234 . . . . 72.42 114.332 -175.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 47.9 mt -100.34 -3.62 30.83 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 120.667 -1.271 . . . . 73.23 110.865 -172.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.49 18.7 73.87 Favored Glycine 0 CA--C 1.503 -0.666 0 N-CA-C 116.55 1.38 . . . . 64.21 116.55 177.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.4 m -142.59 159.84 19.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 117.513 0.656 . . . . 72.13 109.249 -173.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -98.25 107.22 19.63 Favored 'General case' 0 N--CA 1.441 -0.897 0 CA-C-O 122.24 1.019 . . . . 74.41 109.431 178.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.2 tp -65.36 125.77 90.13 Favored Pre-proline 0 C--O 1.237 0.436 0 C-N-CA 119.712 -0.795 . . . . 52.42 110.342 -178.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -60.11 137.07 73.19 Favored 'Trans proline' 0 N--CA 1.464 -0.211 0 C-N-CA 118.508 -0.528 . . . . 63.13 111.609 173.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 15.1 tt -64.25 -20.91 27.86 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 CA-C-O 121.888 0.852 . . . . 72.34 108.922 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -64.66 -37.98 89.42 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 121.534 -0.729 . . . . 74.03 110.892 174.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -42.67 95.25 Favored 'General case' 0 C--O 1.22 -0.478 0 N-CA-C 108.494 -0.928 . . . . 72.5 108.494 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.3 tp -63.04 -47.56 82.48 Favored 'General case' 0 C--O 1.209 -1.03 0 CA-C-N 115.943 -0.571 . . . . 74.22 110.996 178.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.3 m-30 -73.98 -20.01 60.48 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 121.84 -0.537 . . . . 73.35 111.924 -174.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 70.7 m -72.21 -28.95 63.51 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-O 121.593 0.711 . . . . 70.23 109.997 178.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.2 p -157.75 90.44 2.33 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.396 -0.82 . . . . 62.21 109.059 -177.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -79.11 34.88 0.53 Allowed 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 121.961 1.774 . . . . 74.2 115.891 -173.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 33.5 p -122.58 149.56 55.89 Favored Pre-proline 0 CA--C 1.497 -1.095 0 N-CA-C 105.233 -2.136 . . . . 71.43 105.233 178.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -58.28 -41.23 68.57 Favored 'Trans proline' 0 CA--C 1.546 1.083 0 C-N-CA 117.27 -1.353 . . . . 72.2 115.017 -178.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.12 -35.71 78.56 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 120.852 -1.155 . . . . 60.34 110.614 176.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.39 -48.49 84.89 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 110.825 -0.91 . . . . 53.55 110.825 178.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 76.4 t -58.32 -42.12 83.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 O-C-N 122.305 -0.526 . . . . 55.51 110.038 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.88 -44.49 86.71 Favored 'General case' 0 C--O 1.212 -0.872 0 CA-C-O 120.647 0.261 . . . . 64.54 111.515 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 53.7 mtp85 -69.6 -38.17 77.17 Favored 'General case' 0 C--O 1.245 0.864 0 C-N-CA 120.105 -0.638 . . . . 74.12 111.767 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.97 -40.53 87.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.783 0.325 . . . . 63.43 111.431 -176.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 pp -76.14 -33.71 59.4 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.636 -0.505 . . . . 52.35 109.636 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.33 -36.99 85.92 Favored 'General case' 0 CA--C 1.542 0.635 0 O-C-N 122.085 -0.384 . . . . 72.35 110.281 176.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.67 -37.22 86.53 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-O 120.511 0.196 . . . . 72.12 111.057 177.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -70.45 -31.87 69.2 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 121.979 -0.45 . . . . 70.12 110.092 178.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 25.7 t -73.71 -31.02 63.2 Favored 'General case' 0 CA--C 1.542 0.663 0 CA-C-O 120.929 0.395 . . . . 75.13 110.782 178.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.32 29.16 0.1 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 113.373 0.879 . . . . 74.44 113.373 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 67.5 p -72.43 -14.98 61.82 Favored 'General case' 0 C--O 1.219 -0.512 0 N-CA-C 112.244 0.461 . . . . 42.22 112.244 177.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 38.4 t-105 52.76 60.35 3.85 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 122.429 1.109 . . . . 75.45 113.073 176.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 27.3 t -146.19 160.17 42.32 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 106.897 -1.52 . . . . 74.4 106.897 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -64.43 144.05 98.54 Favored Pre-proline 0 C--N 1.316 -0.875 0 O-C-N 123.634 0.584 . . . . 64.5 109.792 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -71.38 160.98 47.07 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 116.957 -1.562 . . . . 74.31 111.72 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -130.63 152.09 50.37 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 106.468 -1.679 . . . . 61.21 106.468 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -87.24 160.37 18.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.598 0.713 . . . . 73.31 110.557 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -127.11 156.52 41.61 Favored 'General case' 0 C--O 1.266 1.955 0 N-CA-C 104.361 -2.459 . . . . 75.51 104.361 176.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm . . . . . 0 C--O 1.253 1.287 0 N-CA-C 107.619 -1.252 . . . . 51.43 107.619 179.519 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 CA-C-O 118.858 -0.968 . . . . 65.33 111.149 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.3 157.29 37.27 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.424 -0.954 . . . . 75.11 108.424 176.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 31.3 mmt -77.9 147.14 35.19 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.368 -0.605 . . . . 72.11 109.368 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.35 149.11 42.83 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.799 -0.445 . . . . 62.5 109.799 178.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -96.31 150.9 20.05 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.12 -1.067 . . . . 71.52 108.12 176.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.74 150.96 96.56 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 108.782 -0.821 . . . . 43.03 108.782 176.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.4 163.57 29.73 Favored 'Trans proline' 0 N--CA 1.427 -2.43 0 CA-C-O 122.491 0.955 . . . . 74.34 112.02 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -81.35 164.06 22.42 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.702 -1.135 . . . . 74.21 109.797 -178.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.3 t -113.8 153.84 28.41 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-O 121.509 0.671 . . . . 65.22 111.243 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.68 -26.91 63.64 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.868 -0.606 . . . . 73.42 111.143 177.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.2 m -56.42 -43.89 79.84 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 111.705 0.261 . . . . 64.43 111.705 -175.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -57.31 -39.18 75.28 Favored 'General case' 0 C--O 1.214 -0.801 0 C-N-CA 120.854 -0.339 . . . . 74.4 111.105 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -65.34 -42.84 92.48 Favored 'General case' 0 CA--C 1.5 -0.951 0 CA-C-N 115.529 -0.76 . . . . 74.31 112.182 -174.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 57.5 t -66.77 -45.43 87.94 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 N-CA-C 108.324 -0.991 . . . . 75.34 108.324 -177.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.86 -38.17 90.11 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.528 0.68 . . . . 71.23 112.076 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 47.2 m -59.89 -50.19 74.76 Favored 'General case' 0 C--O 1.21 -1.005 0 CA-C-N 115.929 -0.578 . . . . 62.3 109.795 175.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.85 -33.81 76.89 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 118.039 -1.464 . . . . 33.42 110.374 -175.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mp -68.32 -32.43 72.56 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 123.747 0.819 . . . . 71.0 111.567 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -62.64 -49.26 75.89 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 107.806 -1.183 . . . . 75.45 107.806 175.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.86 -32.03 73.19 Favored 'General case' 0 CA--C 1.563 1.459 0 C-N-CA 119.468 -0.893 . . . . 71.04 111.03 -176.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -67.31 -37.65 83.68 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 125.072 1.482 . . . . 75.21 110.32 -177.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.5 mm -85.33 -39.39 13.91 Favored 'Isoleucine or valine' 0 N--CA 1.402 -2.828 0 CA-C-N 114.199 -1.364 . . . . 63.34 112.711 -173.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.5 mt -80.05 -23.3 41.49 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 114.906 -1.043 . . . . 63.14 111.761 -177.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.07 33.53 44.98 Favored Glycine 0 C--O 1.228 -0.223 0 C-N-CA 120.546 -0.835 . . . . 41.22 112.858 179.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.2 m -111.27 154.27 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 109.275 -0.639 . . . . 64.42 109.275 -178.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -66.44 -38.32 87.14 Favored 'General case' 0 C--O 1.269 2.113 0 CA-C-O 120.911 0.386 . . . . 71.34 111.771 -174.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -149.51 164.83 33.98 Favored 'General case' 0 CA--C 1.486 -1.512 0 N-CA-C 105.338 -2.097 . . . . 73.51 105.338 -176.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 12.1 p -154.26 139.45 10.47 Favored 'Isoleucine or valine' 0 N--CA 1.394 -3.248 0 N-CA-C 105.786 -1.931 . . . . 45.22 105.786 -173.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -82.2 170.13 50.56 Favored Glycine 0 C--O 1.221 -0.701 0 O-C-N 120.857 -1.152 . . . . 72.03 112.718 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -76.29 -17.71 15.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-O 122.965 1.364 . . . . 64.44 108.333 179.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -117.39 18.24 14.42 Favored 'General case' 0 C--O 1.194 -1.854 0 CA-C-N 114.769 -1.105 . . . . 74.3 110.263 -177.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -74.54 128.94 36.79 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.732 -0.667 . . . . 75.15 111.37 -174.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.16 119.05 21.72 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.379 -0.6 . . . . 64.14 109.379 -178.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -47.79 -41.63 23.94 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.789 0.662 . . . . 64.33 112.789 -178.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -73.54 -18.47 61.08 Favored 'General case' 0 C--O 1.221 -0.416 0 N-CA-C 115.098 1.518 . . . . 72.1 115.098 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -77.47 -26.51 51.43 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 108.748 -0.834 . . . . 62.02 108.748 -176.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -86.21 19.39 2.71 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.992 -0.549 . . . . 73.35 110.095 173.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.74 5.67 86.24 Favored Glycine 0 C--O 1.238 0.371 0 O-C-N 121.912 -0.492 . . . . 73.5 113.591 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.3 130.92 49.47 Favored Glycine 0 C--O 1.226 -0.386 0 CA-C-O 122.263 0.924 . . . . 44.22 112.635 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.8 m -128.48 169.64 14.1 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.365 -0.976 . . . . 45.1 108.365 -176.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.7 m -56.79 -31.76 64.97 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.528 0.936 . . . . 61.11 113.528 -178.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.12 -42.21 89.5 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-O 121.115 0.483 . . . . 44.02 110.491 176.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 64.4 mt -70.52 -29.83 66.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.148 -0.315 . . . . 64.31 110.148 177.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.19 -36.26 83.04 Favored 'General case' 0 C--O 1.2 -1.55 0 CA-C-O 121.196 0.522 . . . . 64.24 110.557 176.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 18.5 mmt -68.29 -38.17 81.4 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.659 -0.651 . . . . 65.4 110.473 176.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -64.1 -37.53 87.77 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 121.589 -0.694 . . . . 74.35 110.53 175.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 62.5 tp -62.28 -48.06 81.59 Favored 'General case' 0 C--O 1.209 -1.079 0 CA-C-O 121.263 0.554 . . . . 74.12 110.003 178.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 56.1 mt -59.79 -39.1 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-N 116.377 -0.374 . . . . 61.42 110.194 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.94 -41.57 92.13 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.509 -0.477 . . . . 63.23 109.96 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.2 tpt85 -71.71 -36.32 70.48 Favored 'General case' 0 C--O 1.255 1.346 0 CA-C-O 118.801 -0.619 . . . . 71.41 112.44 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.507 HD13 ' HG ' ' A' ' 59' ' ' LEU . 96.8 mt -58.85 -35.42 56.06 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.519 0 CA-C-N 119.204 0.911 . . . . 62.35 110.527 175.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -63.36 -31.94 73.23 Favored 'General case' 0 N--CA 1.484 1.267 0 O-C-N 122.001 -0.437 . . . . 62.01 111.765 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -74.68 -32.42 62.21 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 122.264 1.03 . . . . 64.33 108.723 -176.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -89.9 -52.68 4.85 Favored 'General case' 0 C--O 1.212 -0.885 0 N-CA-C 115.824 1.787 . . . . 72.42 115.824 -174.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 40.8 mt -96.62 -8.71 30.97 Favored 'General case' 0 C--O 1.211 -0.947 0 O-C-N 118.945 -2.347 . . . . 51.4 109.423 -172.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.85 23.49 77.9 Favored Glycine 0 N--CA 1.448 -0.534 0 O-C-N 125.645 1.841 . . . . 62.21 114.396 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.9 p -143.65 141.99 25.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 113.048 0.759 . . . . 61.22 113.048 -172.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -73.96 89.69 1.92 Allowed 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 109.3 -0.63 . . . . 73.45 109.3 175.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.507 ' HG ' HD13 ' A' ' 51' ' ' ILE . 3.0 tm? -69.13 125.06 91.66 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 108.566 -0.902 . . . . 74.53 108.566 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 59' ' ' LEU . 25.4 Cg_exo -66.49 141.56 61.75 Favored 'Trans proline' 0 CA--C 1.517 -0.346 0 C-N-CA 120.799 0.999 . . . . 71.41 113.685 -177.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.9 tt -63.98 -21.77 29.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 121.452 -0.78 . . . . 65.54 109.194 173.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 32.7 mtm180 -60.47 -37.89 82.45 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 121.895 -0.503 . . . . 75.11 111.114 175.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.09 -40.02 82.75 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 108.993 -0.743 . . . . 72.04 108.993 -177.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 35.5 mt -65.03 -42.66 94.16 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 116.27 -0.423 . . . . 63.11 111.168 178.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -70.08 -29.76 66.82 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.669 -0.413 . . . . 73.22 111.831 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.7 m -71.74 -30.46 65.64 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.058 0.456 . . . . 54.25 111.173 178.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.8 m -154.83 95.04 2.65 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 109.189 -0.671 . . . . 44.03 109.189 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -78.83 32.89 0.46 Allowed 'Trans proline' 0 CA--C 1.536 0.622 0 N-CA-C 116.03 1.512 . . . . 52.34 116.03 -174.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 59.4 p -125.26 153.14 71.88 Favored Pre-proline 0 N--CA 1.474 0.755 0 N-CA-C 107.192 -1.41 . . . . 75.41 107.192 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -67.71 -33.06 28.82 Favored 'Trans proline' 0 CA--C 1.537 0.639 0 C-N-CA 114.473 -3.218 . . . . 74.1 113.932 -173.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -75.87 -29.48 58.54 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.652 0.739 . . . . 74.44 109.596 174.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -66.3 -41.32 94.69 Favored Glycine 0 C--O 1.225 -0.407 0 N-CA-C 111.015 -0.834 . . . . 41.21 111.015 178.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.3 t -59.89 -42.25 88.62 Favored 'Isoleucine or valine' 0 C--O 1.239 0.516 0 N-CA-C 110.055 -0.35 . . . . 75.23 110.055 176.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.33 -41.27 79.67 Favored 'General case' 0 CA--C 1.564 1.507 0 CA-C-O 121.658 0.742 . . . . 72.33 111.088 176.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -72.34 -38.28 68.66 Favored 'General case' 0 C--O 1.223 -0.333 0 O-C-N 120.678 -1.264 . . . . 60.41 110.497 177.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.63 -41.76 87.84 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.928 0.344 . . . . 74.12 111.928 -176.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.2 pp -73.11 -29.43 62.91 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 110.234 -0.284 . . . . 64.33 110.234 178.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.91 -41.17 78.56 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-O 121.023 0.439 . . . . 64.11 110.584 177.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.94 99.54 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.02 0.378 . . . . 64.22 112.02 -177.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -74.01 -9.17 58.37 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.959 0.725 . . . . 71.43 112.959 -178.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.9 m -83.5 -15.33 49.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 122.259 -0.276 . . . . 63.41 110.738 177.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.25 142.72 30.93 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.291 -0.633 . . . . 63.12 109.291 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.0 m -77.25 -20.02 55.74 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.247 0.546 . . . . 75.25 110.516 176.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 82.8 t90 -71.54 131.45 43.28 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.936 -1.135 . . . . 74.42 107.936 178.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 62.2 m -137.57 144.35 41.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.736 0.303 . . . . 63.34 110.74 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 35.2 p-80 -92.47 152.16 41.93 Favored Pre-proline 0 C--N 1.322 -0.619 0 N-CA-C 107.305 -1.369 . . . . 73.02 107.305 173.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -72.39 160.77 46.09 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 116.927 -1.582 . . . . 71.11 111.896 177.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -125.18 135.0 52.17 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.761 -0.829 . . . . 75.02 108.761 179.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -104.85 137.78 42.11 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.353 -1.351 . . . . 74.3 107.353 173.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -155.05 -179.47 8.1 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.999 -0.741 . . . . 74.35 108.999 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.325 -0.845 . . . . 71.15 112.731 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.954 0 CA-C-O 118.435 -1.203 . . . . 63.55 111.367 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.23 -7.13 59.62 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 118.651 1.225 . . . . 74.21 112.093 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.3 ptm -75.4 159.0 31.89 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 116.326 -0.397 . . . . 60.33 111.341 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.37 160.76 15.4 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 115.858 -0.61 . . . . 64.32 112.387 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.9 ttpp -61.54 140.65 58.07 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 114.713 -1.13 . . . . 75.03 109.745 176.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.2 151.23 94.27 Favored Pre-proline 0 C--O 1.292 3.31 0 C-N-CA 121.312 -0.155 . . . . 73.51 111.016 175.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -64.54 157.08 57.13 Favored 'Trans proline' 0 C--O 1.264 1.825 0 C-N-CA 121.645 1.563 . . . . 73.41 112.163 177.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -102.35 163.61 12.14 Favored 'General case' 0 C--N 1.297 -1.706 0 N-CA-C 105.602 -1.999 . . . . 70.3 105.602 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 p -76.79 168.4 20.16 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.171 0.51 . . . . 62.21 111.582 -178.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.75 -22.01 65.03 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 116.436 -0.347 . . . . 74.3 111.096 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.5 m -77.68 -41.72 37.12 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.333 0.494 . . . . 64.13 112.333 -177.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.53 -44.1 84.87 Favored 'General case' 0 C--O 1.214 -0.813 0 N-CA-C 112.107 0.41 . . . . 72.43 112.107 -177.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.6 pttt -62.56 -33.46 74.98 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.48 0.548 . . . . 72.34 112.48 -176.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.2 t -72.44 -45.05 61.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 108.295 -1.002 . . . . 74.25 108.295 -178.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.2 mt -66.83 -40.87 88.15 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-N 115.418 -0.81 . . . . 70.21 111.897 -178.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 8.2 t -62.4 -46.62 87.77 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.101 -1.074 . . . . 63.1 108.101 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.09 -41.82 97.17 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 119.38 -0.928 . . . . 73.35 111.115 -179.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 mp -61.0 -32.09 71.68 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.25 0.463 . . . . 65.11 112.25 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -63.06 -53.28 56.18 Favored 'General case' 0 C--O 1.21 -1.014 0 N-CA-C 108.943 -0.762 . . . . 72.1 108.943 177.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.02 -46.65 87.68 Favored 'General case' 0 CA--C 1.514 -0.41 0 O-C-N 122.381 -0.199 . . . . 64.45 111.371 -175.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -63.65 -36.48 83.96 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 113.115 0.783 . . . . 73.2 113.115 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 79.5 mt -83.29 -37.73 13.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 O-C-N 121.893 -0.505 . . . . 73.1 111.739 -178.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 44.8 mt -75.93 -25.08 55.63 Favored 'General case' 0 C--N 1.318 -0.769 0 C-N-CA 122.341 0.256 . . . . 72.12 110.91 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.51 31.84 49.13 Favored Glycine 0 C--O 1.223 -0.559 0 C-N-CA 121.256 -0.497 . . . . 70.21 112.218 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.9 m -108.22 152.16 10.15 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.921 0 N-CA-C 109.644 -0.502 . . . . 75.01 109.644 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -62.15 -43.36 99.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.429 0.633 . . . . 74.41 112.421 -175.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.7 mtm180 -146.1 162.96 36.79 Favored 'General case' 0 CA--C 1.503 -0.827 0 N-CA-C 107.474 -1.306 . . . . 72.4 107.474 -178.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.2 p -146.87 145.15 19.68 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.148 0 N-CA-C 106.125 -1.806 . . . . 74.34 106.125 -177.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.19 167.05 32.58 Favored Glycine 0 C--N 1.316 -0.55 0 O-C-N 121.95 -0.469 . . . . 63.41 112.873 177.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.8 m -74.74 -15.6 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 O-C-N 121.285 -1.126 . . . . 74.05 109.77 176.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -112.18 15.78 20.36 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 114.644 -1.162 . . . . 73.41 110.161 -177.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -83.37 122.1 28.03 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 116.112 -0.495 . . . . 72.55 111.269 -174.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.01 131.85 40.93 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 108.501 -0.926 . . . . 74.34 108.501 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -53.99 -36.5 63.01 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.349 0.595 . . . . 71.51 112.268 -178.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -81.13 -13.73 58.39 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.627 0.973 . . . . 73.12 113.627 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -74.5 -33.38 62.81 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.263 0.938 . . . . 70.44 109.318 -177.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -78.68 12.64 1.98 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.441 -0.8 . . . . 74.44 109.83 174.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.17 15.88 73.36 Favored Glycine 0 C--O 1.224 -0.505 0 C-N-CA 121.098 -0.572 . . . . 33.33 113.572 178.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.8 109.41 2.84 Favored Glycine 0 CA--C 1.524 0.609 0 C-N-CA 121.595 -0.336 . . . . 71.13 113.119 -179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.4 t -64.82 152.64 42.28 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 122.626 0.37 . . . . 72.11 111.506 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 m -62.71 -27.23 69.11 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.135 0.493 . . . . 51.42 110.697 175.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.93 -37.6 70.01 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 121.377 0.608 . . . . 65.3 110.094 175.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 42.2 tp -67.45 -30.2 69.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.067 -0.395 . . . . 62.24 110.451 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.23 -29.88 67.85 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-O 121.031 0.443 . . . . 64.24 111.762 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 62.9 mtt -65.04 -30.34 71.3 Favored 'General case' 0 N--CA 1.455 -0.201 0 O-C-N 121.817 -0.552 . . . . 73.41 110.798 178.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -67.73 -38.93 84.2 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.669 -0.644 . . . . 74.21 110.221 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 65.9 tp -64.73 -46.49 82.04 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-N 115.574 -0.739 . . . . 65.21 109.368 -178.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.7 mt -61.75 -39.68 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 N-CA-C 109.79 -0.448 . . . . 74.34 109.79 178.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.81 -44.67 84.94 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.021 -0.424 . . . . 53.2 111.886 178.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.41 -33.07 74.88 Favored 'General case' 0 C--N 1.306 -1.299 0 O-C-N 121.711 -0.618 . . . . 74.21 111.677 -178.108 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.5 mt -60.4 -33.55 54.54 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.401 0 O-C-N 123.453 0.47 . . . . 62.21 110.109 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -63.45 -32.31 73.71 Favored 'General case' 0 CA--C 1.499 -0.995 0 O-C-N 122.078 -0.389 . . . . 73.31 111.917 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -81.53 -38.09 26.76 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 108.152 -1.055 . . . . 65.03 108.152 -177.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -85.64 -37.94 18.92 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 113.063 0.764 . . . . 75.32 113.063 -170.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 84.5 mt -112.26 -6.07 14.11 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.207 0.527 . . . . 73.24 110.023 -174.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.27 23.91 76.17 Favored Glycine 0 C--O 1.222 -0.602 0 C-N-CA 120.229 -0.986 . . . . 73.3 113.888 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.6 p -138.19 144.4 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-N 118.113 0.956 . . . . 75.13 111.354 -174.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -77.19 116.38 17.77 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 108.68 -0.859 . . . . 73.3 108.68 174.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -75.83 118.39 70.68 Favored Pre-proline 0 C--N 1.329 -0.301 0 N-CA-C 108.723 -0.843 . . . . 65.41 108.723 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.47 ' HG2' HE21 ' A' ' 63' ' ' GLN . 27.6 Cg_exo -64.78 129.69 24.13 Favored 'Trans proline' 0 N--CA 1.478 0.566 0 C-N-CA 118.276 -0.683 . . . . 71.24 110.728 177.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.8 tt -62.4 -23.22 31.62 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.141 0 O-C-N 120.735 -1.228 . . . . 74.43 111.495 -178.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 20.5 tpp180 -66.57 -39.31 88.4 Favored 'General case' 0 C--O 1.22 -0.476 0 O-C-N 121.897 -0.502 . . . . 72.34 111.787 173.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.47 HE21 ' HG2' ' A' ' 60' ' ' PRO . 2.6 mp0 -60.38 -39.3 86.78 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 109.448 -0.575 . . . . 75.3 109.448 177.089 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 tp -70.39 -49.54 48.0 Favored 'General case' 0 C--O 1.215 -0.731 0 N-CA-C 112.614 0.598 . . . . 45.43 112.614 178.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.8 m-30 -71.82 -30.01 65.04 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.734 0.642 . . . . 63.54 112.734 -174.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.9 t -76.1 -22.65 55.31 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 121.796 -0.565 . . . . 72.24 111.495 -178.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.8 p -153.12 79.27 5.67 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 108.372 -0.973 . . . . 62.31 108.372 -178.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -78.73 23.9 0.6 Allowed 'Trans proline' 0 CA--C 1.533 0.454 0 N-CA-C 117.376 2.029 . . . . 73.41 117.376 -170.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 55.5 p -106.67 154.03 40.31 Favored Pre-proline 0 C--N 1.323 -0.57 0 N-CA-C 106.874 -1.528 . . . . 74.25 106.874 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -67.93 -31.26 31.43 Favored 'Trans proline' 0 CA--C 1.534 0.519 0 C-N-CA 113.306 -3.996 . . . . 65.4 114.042 -173.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.59 -28.92 61.12 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.153 -0.619 . . . . 74.02 109.376 175.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.62 -50.8 40.29 Favored Glycine 0 C--O 1.226 -0.377 0 N-CA-C 109.709 -1.356 . . . . 54.31 109.709 179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.0 t -59.46 -35.94 61.66 Favored 'Isoleucine or valine' 0 C--O 1.257 1.488 0 N-CA-C 108.564 -0.902 . . . . 71.01 108.564 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.3 -49.07 73.23 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 112.823 0.675 . . . . 54.53 112.823 -177.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 21.9 ptt-85 -71.15 -33.56 70.16 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.702 -0.623 . . . . 73.23 112.144 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.16 -39.27 82.64 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.037 -0.529 . . . . 55.54 111.308 179.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 pp -77.27 -28.0 53.33 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.922 -0.486 . . . . 55.24 110.503 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.13 -35.35 78.47 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 109.243 -0.651 . . . . 73.53 109.243 173.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.88 -14.76 62.89 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 112.505 0.557 . . . . 74.0 112.505 178.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -60.82 -31.0 70.42 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 109.084 -0.71 . . . . 70.34 109.084 176.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.5 m -66.43 -32.42 73.79 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.372 0.508 . . . . 73.51 112.372 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.96 -25.42 55.87 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.471 0.653 . . . . 74.43 110.25 177.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.3 m -75.8 -0.86 22.57 Favored 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 113.227 0.825 . . . . 22.24 113.227 -178.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 51.9 t-105 -61.17 -42.07 97.92 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.835 0.35 . . . . 75.53 111.066 177.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 33.2 t -86.22 109.22 18.77 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.779 -0.823 . . . . 73.25 108.779 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 30.7 p-80 -79.09 149.38 73.12 Favored Pre-proline 0 C--N 1.321 -0.673 0 N-CA-C 109.534 -0.543 . . . . 64.31 109.534 178.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -77.27 175.81 10.87 Favored 'Trans proline' 0 C--N 1.348 0.506 0 O-C-N 121.982 0.464 . . . . 73.2 111.673 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -67.35 141.22 57.19 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.72 -0.844 . . . . 70.11 108.72 176.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -73.88 138.99 44.7 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.968 0.413 . . . . 71.53 112.072 -176.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -99.73 167.77 10.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.48 -0.782 . . . . 75.45 109.824 178.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.255 1.38 0 N-CA-C 104.64 -2.356 . . . . 65.31 104.64 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 CA-C-O 118.45 -1.195 . . . . 74.2 111.087 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.03 -30.93 62.69 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.444 1.122 . . . . 62.33 110.375 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -76.63 143.12 40.37 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.827 -0.624 . . . . 65.12 109.933 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.08 155.37 40.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.012 0.434 . . . . 75.4 110.398 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -83.87 143.49 29.86 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 108.773 -0.825 . . . . 61.51 108.773 175.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.02 155.76 86.37 Favored Pre-proline 0 CA--C 1.543 0.677 0 N-CA-C 107.438 -1.319 . . . . 70.41 107.438 173.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -72.4 159.59 48.92 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 118.35 -0.633 . . . . 70.32 112.815 177.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -76.91 146.67 37.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.505 -0.77 . . . . 75.3 110.314 179.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.6 p -83.54 165.37 19.14 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.571 0.701 . . . . 62.15 111.041 178.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.52 -34.18 70.69 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.1 0.778 . . . . 73.44 113.1 -178.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.8 -42.06 58.81 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.266 0.469 . . . . 65.54 112.266 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.412 ' HG2' ' HA ' ' A' ' 71' ' ' ALA . 64.3 mt-10 -61.41 -40.39 94.22 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.352 0.501 . . . . 63.43 112.352 -173.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -65.53 -32.55 74.21 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.484 0.55 . . . . 74.54 112.484 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 75.4 t -75.24 -44.93 42.49 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 N-CA-C 108.614 -0.884 . . . . 72.11 108.614 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.0 mt -62.55 -38.92 91.9 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-N 116.253 -0.431 . . . . 73.33 110.586 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 17.7 t -58.72 -49.37 77.86 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.876 -0.787 . . . . 44.53 108.876 175.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.26 -36.95 85.69 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 113.054 0.761 . . . . 32.22 113.054 -178.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.0 -28.05 69.24 Favored 'General case' 0 C--N 1.322 -0.596 0 O-C-N 121.773 -0.58 . . . . 75.32 111.598 177.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -64.05 -47.49 79.97 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 119.491 1.041 . . . . 73.11 108.52 178.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.11 -33.67 75.95 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.365 0.506 . . . . 33.42 112.365 -177.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -61.84 -34.03 75.23 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-O 121.179 0.514 . . . . 74.15 112.038 179.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 31.3 mm -89.75 -36.69 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.357 0 CA-C-N 114.531 -1.213 . . . . 73.21 112.425 -174.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.2 mt -80.19 -27.09 38.94 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.855 -1.066 . . . . 73.24 112.575 -177.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 72.78 31.27 62.62 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 120.45 -0.881 . . . . 64.4 112.714 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.1 m -103.9 158.36 5.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.308 -0.627 . . . . 75.22 109.308 -178.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -61.49 -47.52 85.26 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.983 0.896 . . . . 75.11 111.223 -178.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -144.67 161.99 37.79 Favored 'General case' 0 CA--C 1.476 -1.879 0 CA-C-N 114.95 -1.023 . . . . 73.12 109.083 -178.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.4 p -147.4 145.87 18.74 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.118 0 N-CA-C 103.398 -2.816 . . . . 62.15 103.398 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.39 167.51 21.36 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.329 -0.708 . . . . 31.22 111.329 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -22.27 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 CA-C-O 122.163 0.982 . . . . 72.45 110.45 179.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -103.85 14.26 31.22 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 113.759 -1.564 . . . . 73.13 111.744 -177.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.89 130.89 35.27 Favored 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 114.401 1.26 . . . . 75.4 114.401 -171.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.8 115.79 16.9 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 120.786 -0.366 . . . . 73.0 110.323 -178.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -47.56 -44.51 26.18 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 114.091 1.145 . . . . 72.12 114.091 -177.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -73.96 -17.64 60.98 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 114.074 1.139 . . . . 75.4 114.074 -175.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -73.69 -34.08 64.7 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.524 0.678 . . . . 64.13 109.386 -178.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.86 17.3 1.21 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.302 -0.863 . . . . 75.25 110.753 176.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 80.91 18.62 69.52 Favored Glycine 0 C--O 1.236 0.271 0 C-N-CA 121.032 -0.604 . . . . 74.32 112.886 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.84 87.63 0.29 Allowed Glycine 0 CA--C 1.516 0.142 0 CA-C-O 122.213 0.896 . . . . 73.32 113.925 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 90.0 p -71.71 166.26 22.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.275 0.559 . . . . 42.24 110.872 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.2 p -61.18 -28.96 69.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.018 0.437 . . . . 74.14 110.799 176.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.41 -42.81 87.23 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.374 -0.375 . . . . 60.32 110.224 177.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.9 mt -68.05 -35.68 78.63 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 110.538 -0.171 . . . . 61.44 110.538 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.73 -37.34 70.84 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.077 0.399 . . . . 75.24 112.077 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 22.5 mmt -62.78 -33.02 74.31 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 112.228 0.455 . . . . 75.34 112.228 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -73.87 -33.61 64.14 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.813 -0.554 . . . . 74.12 109.641 178.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.97 -43.5 82.9 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.217 0.532 . . . . 73.2 109.982 178.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 71.7 mt -62.09 -37.55 78.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.106 -0.701 . . . . 71.44 109.106 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.14 -43.66 86.43 Favored 'General case' 0 C--O 1.205 -1.237 0 C-N-CA 120.723 -0.391 . . . . 54.24 111.231 177.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -62.96 -41.26 99.47 Favored 'General case' 0 CA--C 1.493 -1.241 0 O-C-N 121.472 -0.767 . . . . 72.3 110.637 179.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.425 HG23 HD12 ' A' ' 55' ' ' LEU . 46.1 mt -56.37 -33.61 38.66 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 N-CA-C 113.02 0.748 . . . . 74.04 113.02 -179.355 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.8 mtm105 -65.71 -32.98 74.83 Favored 'General case' 0 C--O 1.196 -1.749 0 N-CA-C 113.876 1.065 . . . . 74.32 113.876 178.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -78.73 -37.41 41.43 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 107.898 -1.149 . . . . 75.22 107.898 -175.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -90.08 -48.49 7.16 Favored 'General case' 0 N--CA 1.435 -1.194 0 CA-C-N 114.328 -1.306 . . . . 64.52 111.958 -169.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.425 HD12 HG23 ' A' ' 51' ' ' ILE . 67.2 mt -98.76 -8.84 25.36 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 121.635 0.731 . . . . 73.53 111.512 -177.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.26 18.61 79.98 Favored Glycine 0 N--CA 1.466 0.646 0 N-CA-C 115.632 1.013 . . . . 74.33 115.632 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.9 m -143.33 155.2 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 CA-C-N 117.79 0.795 . . . . 42.02 110.428 -176.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -82.91 122.07 27.78 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.56 -0.904 . . . . 71.15 108.56 175.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -69.1 121.89 83.39 Favored Pre-proline 0 C--N 1.325 -0.483 0 N-CA-C 107.9 -1.148 . . . . 75.04 107.9 -179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo -64.76 111.24 1.64 Allowed 'Trans proline' 0 C--N 1.346 0.43 0 O-C-N 121.896 0.419 . . . . 75.34 111.45 177.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.7 tt -58.85 -24.39 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-O 121.079 0.466 . . . . 74.35 112.217 -177.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.43 -39.73 88.5 Favored 'General case' 0 C--O 1.217 -0.607 0 O-C-N 121.609 -0.682 . . . . 73.25 110.88 174.225 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -77.08 -30.82 55.64 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.722 -0.474 . . . . 74.34 109.722 -177.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 30.0 tp -64.85 -47.34 78.27 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-O 121.144 0.497 . . . . 52.14 110.574 177.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -73.63 -25.57 60.36 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.069 -0.653 . . . . 74.04 111.994 -179.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.4 m -75.69 -24.58 56.29 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 120.855 0.359 . . . . 70.44 110.79 177.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.9 m -147.73 87.68 5.84 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 108.742 -0.836 . . . . 71.04 108.742 -178.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -75.62 8.61 2.57 Favored 'Trans proline' 0 N--CA 1.475 0.413 0 N-CA-C 115.624 1.356 . . . . 43.14 115.624 -174.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 65.6 p -98.12 149.22 35.51 Favored Pre-proline 0 C--N 1.327 -0.385 0 N-CA-C 108.95 -0.759 . . . . 61.31 108.95 177.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.05 -30.29 32.36 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 116.257 -2.029 . . . . 72.51 113.544 -175.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.412 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . . . -77.4 -29.98 53.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.56 -0.713 . . . . 64.23 110.552 173.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.61 -47.09 58.7 Favored Glycine 0 CA--C 1.501 -0.823 0 N-CA-C 110.562 -1.015 . . . . 71.14 110.562 -178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.2 p -64.49 -35.1 73.5 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.373 0 N-CA-C 109.202 -0.666 . . . . 64.41 109.202 -177.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.77 -44.19 97.09 Favored 'General case' 0 C--O 1.212 -0.873 0 O-C-N 123.45 0.469 . . . . 74.04 111.281 177.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 79.7 mtt180 -74.63 -33.19 62.51 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 116.387 -0.369 . . . . 72.34 110.508 -178.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.99 -41.12 78.27 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 112.21 0.448 . . . . 72.34 112.21 178.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.2 pp -77.42 -29.34 52.97 Favored 'General case' 0 C--O 1.219 -0.505 0 O-C-N 121.853 -0.529 . . . . 51.12 110.637 177.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -64.33 -32.41 74.0 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.814 -0.554 . . . . 51.21 110.144 175.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.87 -15.73 63.19 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-N 116.459 -0.337 . . . . 51.41 111.469 177.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -88.03 -17.07 31.95 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 112.718 0.636 . . . . 75.11 112.718 179.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 60.9 p -98.88 -2.58 37.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.995 0.426 . . . . 23.55 110.442 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.88 154.06 42.47 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.298 -0.63 . . . . 74.32 109.298 176.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.8 m -60.6 -22.17 63.46 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 113.71 1.004 . . . . 74.32 113.71 -178.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 15.0 m-90 -130.54 136.02 48.51 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 105.968 -1.864 . . . . 74.1 105.968 173.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.5 t -150.64 162.64 40.28 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.806 -0.813 . . . . 62.5 108.806 -178.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 59.5 m-70 -67.04 151.27 97.31 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 108.686 -0.857 . . . . 74.43 108.686 176.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -68.7 159.35 54.05 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 117.039 -1.507 . . . . 75.34 112.069 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -157.08 -44.66 0.07 Allowed 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.507 -0.315 . . . . 73.54 110.825 178.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -114.08 158.76 20.81 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.984 -1.117 . . . . 72.31 107.984 176.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -154.34 177.84 10.7 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 104.348 -2.464 . . . . 74.54 104.348 177.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? . . . . . 0 C--O 1.243 0.743 0 CA-C-O 117.749 -1.12 . . . . 53.52 109.858 179.402 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.864 0 CA-C-O 118.994 -0.892 . . . . 74.22 111.092 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.42 -29.72 59.83 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 118.356 1.078 . . . . 72.54 109.823 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -74.11 148.86 41.42 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.096 -0.502 . . . . 75.2 110.23 179.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.94 145.03 56.58 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 107.956 -1.127 . . . . 65.34 107.956 174.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -72.81 156.03 39.32 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 109.357 -0.608 . . . . 62.1 109.357 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.92 151.6 97.06 Favored Pre-proline 0 C--O 1.244 0.776 0 N-CA-C 107.489 -1.3 . . . . 75.51 107.489 175.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -71.83 159.72 49.84 Favored 'Trans proline' 0 C--O 1.218 -0.486 0 CA-C-O 121.4 0.5 . . . . 74.41 111.039 176.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -81.69 153.11 26.76 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.94 -0.573 . . . . 61.15 111.224 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.2 m -80.38 148.32 30.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.217 0.532 . . . . 55.02 111.673 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.65 -25.78 68.37 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 112.694 0.627 . . . . 55.21 112.694 -177.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.52 -39.37 93.31 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 114.347 1.24 . . . . 73.12 114.347 -177.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.4 -40.13 93.26 Favored 'General case' 0 C--O 1.202 -1.415 0 N-CA-C 114.174 1.176 . . . . 53.2 114.174 -173.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.9 pttt -69.11 -30.95 69.34 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 120.614 -0.434 . . . . 74.42 111.167 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 73.3 t -70.52 -44.03 77.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 107.511 -1.292 . . . . 63.04 107.511 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.6 mt -63.26 -43.09 98.96 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.131 -0.94 . . . . 74.14 110.901 179.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.22 -45.03 88.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.608 -0.269 . . . . 74.31 111.175 177.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.43 -41.95 83.94 Favored 'General case' 0 C--O 1.212 -0.889 0 C-N-CA 120.459 -0.497 . . . . 71.24 111.438 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.409 HD22 ' HB3' ' A' ' 50' ' ' ARG . 45.3 mt -64.47 -29.93 70.97 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 121.967 -0.458 . . . . 65.54 111.766 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -59.42 -46.0 89.95 Favored 'General case' 0 C--O 1.247 0.953 0 N-CA-C 108.339 -0.986 . . . . 75.14 108.339 174.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.06 -43.21 99.23 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 113.013 0.745 . . . . 51.31 113.013 -179.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -60.03 -33.37 71.92 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 112.626 0.602 . . . . 73.54 112.626 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 42.2 mm -90.7 -37.36 9.3 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.592 0 N-CA-C 114.134 1.161 . . . . 63.02 114.134 -177.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.4 mt -88.48 -23.96 23.1 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 122.869 0.468 . . . . 74.11 112.007 -175.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.83 25.95 65.96 Favored Glycine 0 C--O 1.224 -0.516 0 C-N-CA 121.408 -0.425 . . . . 74.4 113.124 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.1 m -97.91 152.69 4.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.992 0.425 . . . . 70.31 109.897 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -69.53 -29.65 67.3 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 114.499 1.296 . . . . 54.43 114.499 -173.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 35.3 ptt85 -149.07 166.17 29.53 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.639 -0.71 . . . . 74.03 111.186 177.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.4 t -137.17 137.16 46.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 107.827 -1.175 . . . . 72.11 107.827 177.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.88 166.51 13.54 Favored Glycine 0 C--O 1.218 -0.903 0 N-CA-C 110.04 -1.224 . . . . 72.31 110.04 175.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 30.2 m -64.97 -22.81 32.16 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.481 0 CA-C-N 118.145 0.972 . . . . 71.11 113.061 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -108.25 15.03 24.46 Favored 'General case' 0 C--O 1.212 -0.896 0 CA-C-O 121.7 0.762 . . . . 73.35 112.66 -178.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.65 113.3 18.75 Favored 'General case' 0 N--CA 1.443 -0.797 0 O-C-N 121.007 -1.058 . . . . 74.2 111.157 -174.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.9 120.92 22.7 Favored 'General case' 0 C--O 1.214 -0.787 0 CA-C-O 121.643 0.735 . . . . 53.55 110.9 -175.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -46.6 -42.8 16.67 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 114.806 -1.088 . . . . 75.31 113.331 -178.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 -74.2 -21.53 59.77 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 114.397 1.258 . . . . 54.03 114.397 -176.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -85.96 -19.44 30.42 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 109.106 -0.702 . . . . 71.32 109.106 -177.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.0 mt -89.32 20.21 3.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.068 -0.969 . . . . 53.42 110.386 175.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.08 4.24 72.05 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 115.586 0.994 . . . . 63.23 115.586 177.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.48 151.76 51.63 Favored Glycine 0 C--O 1.219 -0.823 0 CA-C-O 122.127 0.848 . . . . 71.2 113.475 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.1 t -141.55 164.92 28.92 Favored 'General case' 0 CA--C 1.5 -0.943 0 N-CA-C 107.175 -1.417 . . . . 63.43 107.175 -177.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.1 m -61.0 -29.04 69.46 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.945 0.403 . . . . 54.35 110.029 176.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.53 -41.46 98.48 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 121.045 0.45 . . . . 72.0 110.585 176.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.6 mt -79.21 -27.74 42.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.174 -0.466 . . . . 74.03 110.373 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.96 -37.76 83.52 Favored 'General case' 0 C--O 1.204 -1.302 0 N-CA-C 109.52 -0.548 . . . . 42.02 109.52 178.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 23.4 mmt -64.15 -33.84 76.71 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 122.161 -0.337 . . . . 72.11 111.356 177.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -70.82 -37.34 73.2 Favored 'General case' 0 C--O 1.219 -0.54 0 O-C-N 122.068 -0.395 . . . . 75.51 110.861 176.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 52.2 tp -62.95 -46.42 87.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.725 0.774 . . . . 75.44 109.42 178.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 68.7 mt -62.2 -38.04 80.03 Favored 'Isoleucine or valine' 0 C--N 1.343 0.286 0 N-CA-C 109.382 -0.599 . . . . 73.4 109.382 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.61 -42.67 99.72 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 120.137 -0.625 . . . . 75.41 111.062 178.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.409 ' HB3' HD22 ' A' ' 18' ' ' LEU . 6.8 mmt85 -66.57 -32.1 73.22 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 121.123 0.487 . . . . 73.31 111.543 178.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.6 mt -66.42 -31.06 51.89 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.356 0 N-CA-C 108.485 -0.931 . . . . 55.32 108.485 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -66.37 -28.53 68.72 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 118.334 0.516 . . . . 72.2 111.931 175.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -77.93 -40.25 40.19 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 107.979 -1.119 . . . . 75.31 107.979 -178.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -88.18 -40.31 13.81 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 115.822 1.786 . . . . 54.14 115.822 -173.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.9 mt -109.33 -5.92 15.68 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-O 121.14 0.495 . . . . 65.4 109.776 -175.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.7 16.55 76.13 Favored Glycine 0 N--CA 1.465 0.614 0 N-CA-C 115.042 0.777 . . . . 54.32 115.042 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 30.6 m -140.83 157.16 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 CA-C-N 117.464 0.632 . . . . 71.51 111.171 -176.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.57 108.98 20.28 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.447 -0.575 . . . . 74.11 109.447 179.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.513 HD22 ' HD2' ' A' ' 60' ' ' PRO . 1.0 OUTLIER -65.59 120.44 68.35 Favored Pre-proline 0 CA--C 1.539 0.541 0 N-CA-C 108.906 -0.776 . . . . 63.44 108.906 177.724 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.513 ' HD2' HD22 ' A' ' 59' ' ' LEU . 9.6 Cg_endo -60.8 125.74 17.96 Favored 'Trans proline' 0 CA--C 1.471 -2.642 0 CA-C-N 119.307 0.788 . . . . 72.24 112.498 175.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.9 tt -60.19 -21.38 22.26 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.002 0 CA-C-O 122.06 0.933 . . . . 60.42 113.446 178.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -61.28 -36.17 79.32 Favored 'General case' 0 CA--C 1.506 -0.726 0 CA-C-O 122.271 1.034 . . . . 65.03 111.709 176.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.21 -36.98 61.33 Favored 'General case' 0 N--CA 1.394 -3.243 0 CA-C-N 113.433 -1.712 . . . . 74.22 110.787 -175.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.8 tp -64.42 -42.34 96.09 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.678 -0.692 . . . . 71.1 112.578 172.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -70.76 -31.5 68.33 Favored 'General case' 0 C--N 1.323 -0.582 0 O-C-N 121.633 -0.667 . . . . 74.01 111.936 179.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.3 m -74.3 -26.38 60.14 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.095 0.474 . . . . 54.41 110.863 179.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.2 m -149.28 91.04 4.55 Favored Pre-proline 0 C--O 1.219 -0.551 0 N-CA-C 109.211 -0.663 . . . . 53.25 109.211 -178.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -77.52 1.17 9.06 Favored 'Trans proline' 0 C--O 1.216 -0.577 0 N-CA-C 116.766 1.795 . . . . 72.23 116.766 -174.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 72.2 p -92.98 154.2 41.81 Favored Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 108.975 -0.75 . . . . 51.1 108.975 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -67.5 -33.05 30.23 Favored 'Trans proline' 0 CA--C 1.535 0.534 0 C-N-CA 115.842 -2.305 . . . . 70.34 113.983 -177.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.24 -32.84 63.14 Favored 'General case' 0 C--O 1.241 0.609 0 O-C-N 121.595 -0.691 . . . . 71.31 109.891 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.76 -48.0 58.01 Favored Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 110.665 -0.974 . . . . 62.03 110.665 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 6.1 p -68.31 -27.47 37.01 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.563 0 C-N-CA 119.736 -0.785 . . . . 61.44 110.326 -177.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.58 -48.35 69.86 Favored 'General case' 0 CA--C 1.506 -0.732 0 CA-C-O 121.789 0.804 . . . . 43.33 110.426 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -70.84 -33.34 70.56 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 121.138 -0.976 . . . . 65.44 110.232 -179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.21 -44.0 89.74 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 112.192 0.441 . . . . 63.45 112.192 178.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.7 pp -75.9 -32.74 59.79 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.323 -0.551 . . . . 65.23 110.303 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.62 -31.18 72.27 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.956 0.408 . . . . 55.21 110.947 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.01 -15.77 46.61 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.499 0.555 . . . . 64.1 112.499 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -68.43 -26.26 65.43 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.435 -0.791 . . . . 72.42 112.693 177.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.5 t -69.09 -37.79 78.63 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.509 -0.923 . . . . 34.04 108.509 176.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.83 -22.52 62.32 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 121.509 0.671 . . . . 75.12 110.343 177.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.6 m -88.44 14.14 10.35 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.612 -0.722 . . . . 61.42 111.604 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 58.5 30.11 19.28 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 113.662 0.986 . . . . 71.23 113.662 176.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 54.0 m -69.55 141.46 53.82 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.689 -0.632 . . . . 75.13 110.397 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -68.92 145.14 96.5 Favored Pre-proline 0 C--O 1.242 0.678 0 CA-C-N 116.348 -0.387 . . . . 70.42 111.034 -177.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -77.44 168.61 22.52 Favored 'Trans proline' 0 N--CA 1.46 -0.482 0 C-N-CA 118.287 -0.676 . . . . 74.45 112.19 178.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -75.02 157.71 34.43 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.131 -1.433 . . . . 64.4 107.131 174.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -65.59 138.88 58.32 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 108.969 -0.752 . . . . 74.22 108.969 176.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -71.06 163.45 27.56 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 108.217 -1.031 . . . . 72.22 108.217 177.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 108.653 -0.869 . . . . 64.03 108.653 -178.337 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.523 0 CA-C-O 118.785 -1.008 . . . . 74.34 111.239 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.99 159.69 32.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 117.998 0.899 . . . . 63.12 108.734 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 67.0 mtt -78.66 145.92 34.34 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.373 -0.973 . . . . 70.43 108.373 175.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.84 155.24 33.13 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.177 -0.675 . . . . 70.02 109.177 177.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -64.49 125.18 23.85 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 106.377 -1.712 . . . . 64.32 106.377 173.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.88 143.93 98.89 Favored Pre-proline 0 C--O 1.244 0.766 0 N-CA-C 109.437 -0.579 . . . . 45.54 109.437 -179.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -75.64 179.35 6.31 Favored 'Trans proline' 0 C--N 1.349 0.565 0 O-C-N 122.498 0.736 . . . . 70.24 111.074 176.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -61.27 124.66 21.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.26 0.552 . . . . 73.43 109.626 177.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 m -80.7 156.46 26.28 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.202 -0.666 . . . . 72.21 109.202 179.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.53 -26.75 63.83 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.01 0.433 . . . . 64.11 111.311 177.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -68.31 -36.68 79.67 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.006 0.743 . . . . 62.22 113.006 177.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -63.62 -41.27 98.31 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.646 -0.252 . . . . 54.31 111.334 -171.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -68.01 -30.89 70.24 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 120.486 -0.486 . . . . 70.24 112.105 178.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.3 t -70.04 -46.06 74.23 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.568 0 N-CA-C 107.377 -1.342 . . . . 72.14 107.377 179.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -63.64 -38.76 92.35 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.46 -0.336 . . . . 70.23 111.358 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.0 m -57.43 -47.98 80.34 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.907 0.384 . . . . 64.14 110.463 174.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.68 -35.28 78.54 Favored 'General case' 0 C--N 1.322 -0.599 0 O-C-N 121.342 -0.849 . . . . 70.42 111.337 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.478 HD22 ' HG2' ' A' ' 50' ' ' ARG . 25.6 mt -65.7 -32.91 74.73 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.199 -0.313 . . . . 74.11 111.021 179.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -63.32 -49.38 74.2 Favored 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 106.938 -1.504 . . . . 74.13 106.938 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.51 -47.78 78.59 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.358 0.599 . . . . 73.5 111.989 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.432 ' HB3' HH12 ' A' ' 50' ' ' ARG . 39.9 mm-40 -60.39 -34.69 74.27 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.506 0.928 . . . . 73.32 113.506 -177.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.9 mt -92.33 -37.87 9.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 112.726 0.639 . . . . 60.04 112.726 -173.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.0 mt -85.77 -24.87 26.68 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 123.259 0.624 . . . . 71.33 111.643 -176.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.32 33.78 31.06 Favored Glycine 0 C--O 1.225 -0.445 0 C-N-CA 120.667 -0.778 . . . . 63.51 112.931 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 m -108.07 147.82 12.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-O 120.995 0.426 . . . . 73.15 110.039 -178.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -72.44 -26.68 61.93 Favored 'General case' 0 CA--C 1.503 -0.863 0 N-CA-C 114.539 1.311 . . . . 75.14 114.539 -175.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.2 tpt85 -143.95 158.7 43.53 Favored 'General case' 0 N--CA 1.438 -1.059 0 O-C-N 121.877 -0.514 . . . . 72.32 109.852 -177.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.2 t -148.09 133.82 11.64 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.309 0 N-CA-C 106.989 -1.485 . . . . 74.33 106.989 175.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -93.39 171.16 31.96 Favored Glycine 0 C--N 1.342 0.906 0 N-CA-C 110.782 -0.927 . . . . 74.32 110.782 175.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -72.43 -22.91 20.82 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.846 0 C-N-CA 119.883 -0.727 . . . . 71.34 109.229 179.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -107.95 15.89 23.97 Favored 'General case' 0 C--N 1.289 -2.027 0 CA-C-N 114.593 -1.185 . . . . 71.12 112.134 -176.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.98 126.9 31.03 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 112.659 0.615 . . . . 63.25 112.659 -175.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.96 116.12 18.22 Favored 'General case' 0 C--O 1.211 -0.951 0 CA-C-O 121.561 0.696 . . . . 74.14 109.258 -177.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -51.77 -40.91 61.14 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 115.431 -0.804 . . . . 72.1 111.657 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -76.25 -22.93 54.57 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.565 0.95 . . . . 73.1 113.565 -177.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -77.18 -31.3 55.3 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 107.566 -1.272 . . . . 72.12 107.566 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 24.7 mt -76.17 11.89 1.35 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 114.759 -1.109 . . . . 44.32 111.275 173.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.47 4.72 76.43 Favored Glycine 0 N--CA 1.464 0.552 0 CA-C-O 122.466 1.037 . . . . 51.32 115.37 177.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -69.73 83.1 0.29 Allowed Glycine 0 CA--C 1.529 0.945 0 N-CA-C 115.329 0.892 . . . . 50.3 115.329 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 50.4 m -66.48 161.93 21.75 Favored 'General case' 0 C--O 1.218 -0.557 0 O-C-N 122.671 -0.311 . . . . 42.44 110.848 176.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.3 m -58.79 -29.45 66.83 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 113.338 0.866 . . . . 74.33 113.338 179.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.18 -37.89 75.26 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.267 0.556 . . . . 70.14 110.258 176.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.9 tp -70.35 -29.32 65.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.414 0.626 . . . . 72.12 109.541 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.35 -30.07 66.45 Favored 'General case' 0 C--O 1.21 -1.023 0 CA-C-O 122.002 0.906 . . . . 71.23 112.751 175.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 95.6 mtp -62.98 -35.18 79.33 Favored 'General case' 0 C--N 1.316 -0.885 0 O-C-N 120.829 -1.169 . . . . 74.25 110.048 178.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 ttm-85 -68.39 -36.28 78.91 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 121.476 -0.765 . . . . 75.31 109.549 177.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 53.2 tp -64.02 -47.42 80.33 Favored 'General case' 0 C--O 1.219 -0.553 0 N-CA-C 109.816 -0.438 . . . . 64.14 109.816 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 55.7 mt -60.51 -40.09 83.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.907 -0.588 . . . . 44.51 110.217 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.64 94.1 Favored 'General case' 0 C--O 1.213 -0.849 0 C-N-CA 121.308 -0.157 . . . . 74.0 110.927 178.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.478 ' HG2' HD22 ' A' ' 18' ' ' LEU . 8.2 tpt180 -67.48 -34.36 76.99 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 123.521 0.513 . . . . 70.52 109.831 -176.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.6 mt -63.4 -27.67 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.291 0 N-CA-C 108.832 -0.803 . . . . 62.33 108.832 -175.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 85.7 mtt-85 -63.0 -33.05 74.6 Favored 'General case' 0 C--O 1.208 -1.092 0 CA-C-O 121.232 0.539 . . . . 75.02 112.287 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -80.43 -37.17 32.57 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.133 -1.062 . . . . 65.43 108.133 -174.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.431 ' HG3' HD21 ' A' ' 18' ' ' LEU . 72.2 mm-40 -82.75 -38.9 22.6 Favored 'General case' 0 C--O 1.188 -2.157 0 N-CA-C 114.475 1.287 . . . . 74.22 114.475 -174.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 mt -117.18 -2.16 11.71 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 113.618 0.97 . . . . 70.3 113.618 -171.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.29 26.14 74.33 Favored Glycine 0 C--O 1.219 -0.828 0 CA-C-N 115.79 -0.641 . . . . 61.44 111.77 178.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.9 p -145.13 148.26 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 O-C-N 122.148 -0.619 . . . . 75.51 111.349 -171.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -92.75 117.81 30.4 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.017 -1.105 . . . . 70.15 108.017 174.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.3 tp -64.71 125.04 88.0 Favored Pre-proline 0 C--N 1.321 -0.633 0 C-N-CA 120.175 -0.61 . . . . 71.53 110.845 -177.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.67 120.1 7.29 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 118.275 -0.683 . . . . 64.44 111.035 172.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.2 tt -63.82 -23.24 32.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 O-C-N 121.685 -0.634 . . . . 73.13 112.006 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 51.2 mtp85 -63.39 -34.38 77.6 Favored 'General case' 0 CA--C 1.503 -0.855 0 CA-C-O 119.247 -0.406 . . . . 73.23 110.153 174.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.97 -37.63 69.87 Favored 'General case' 0 C--O 1.206 -1.21 0 CA-C-N 119.704 1.138 . . . . 52.13 108.847 178.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.4 tp -64.96 -45.42 85.77 Favored 'General case' 0 C--O 1.213 -0.867 0 C-N-CA 120.578 -0.449 . . . . 63.12 111.448 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.0 m-30 -70.46 -26.86 63.84 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.393 -0.523 . . . . 72.34 112.118 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.7 t -78.29 -26.11 46.9 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.358 0.599 . . . . 73.33 111.156 178.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.3 m -148.89 87.96 5.31 Favored Pre-proline 0 N--CA 1.449 -0.493 0 N-CA-C 108.45 -0.944 . . . . 71.21 108.45 -177.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -78.73 24.98 0.56 Allowed 'Trans proline' 0 N--CA 1.48 0.685 0 C-N-CA 122.041 1.827 . . . . 70.34 116.113 -175.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 74.4 p -117.38 153.77 50.22 Favored Pre-proline 0 C--N 1.324 -0.522 0 N-CA-C 108.661 -0.866 . . . . 72.24 108.661 178.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -69.95 -28.15 24.67 Favored 'Trans proline' 0 CA--C 1.54 0.78 0 C-N-CA 115.841 -2.306 . . . . 60.03 112.608 -174.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.2 -37.07 46.4 Favored 'General case' 0 N--CA 1.439 -0.994 0 C-N-CA 119.439 -0.905 . . . . 54.51 112.063 173.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -67.39 -43.57 87.2 Favored Glycine 0 C--N 1.308 -1.018 0 C-N-CA 119.348 -1.406 . . . . 52.32 109.882 -175.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -65.45 -33.66 65.2 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 N-CA-C 113.752 1.019 . . . . 74.25 113.752 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.57 -41.27 96.39 Favored 'General case' 0 C--O 1.209 -1.038 0 O-C-N 121.588 -0.695 . . . . 74.12 110.853 178.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -76.47 -37.02 57.54 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-O 124.9 2.286 . . . . 63.23 108.591 -173.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.6 -43.85 95.74 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 111.76 -2.473 . . . . 74.33 110.529 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.5 pp -75.01 -32.6 61.67 Favored 'General case' 0 C--O 1.212 -0.889 0 O-C-N 121.285 -0.884 . . . . 74.54 111.125 176.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.73 -30.23 70.63 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.475 -0.49 . . . . 53.12 111.337 179.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.74 -27.19 67.75 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 116.598 -0.274 . . . . 72.43 111.213 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -68.75 -12.4 61.41 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 113.085 0.772 . . . . 64.04 113.085 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 90.2 p -85.26 -9.65 57.46 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 122.223 -0.298 . . . . 54.5 111.433 177.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -96.22 166.09 11.9 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.591 -0.522 . . . . 62.33 109.591 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 m -71.64 -1.24 12.99 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 113.191 0.812 . . . . 63.2 113.191 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 6.8 p90 -139.27 131.19 27.72 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 105.014 -2.217 . . . . 73.3 105.014 177.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 82.3 p -152.93 174.28 14.32 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.967 0.413 . . . . 42.02 111.604 -173.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -69.69 144.64 94.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.033 -0.728 . . . . 75.33 109.033 178.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.24 151.53 66.36 Favored 'Trans proline' 0 C--O 1.241 0.658 0 C-N-CA 117.238 -1.375 . . . . 74.11 114.681 -176.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 50.0 tt0 -144.45 148.79 35.02 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 104.363 -2.458 . . . . 75.42 104.363 178.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -113.32 151.11 31.6 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 123.645 0.591 . . . . 74.13 109.576 178.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -85.63 -159.3 0.44 Allowed 'General case' 0 C--N 1.321 -0.669 0 O-C-N 124.059 0.849 . . . . 73.01 109.859 -178.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp . . . . . 0 C--O 1.244 0.807 0 N-CA-C 107.117 -1.438 . . . . 74.34 107.117 179.274 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.999 0 CA-C-O 117.565 -1.686 . . . . 74.25 111.18 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.86 153.26 48.3 Favored 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 105.829 -1.915 . . . . 60.4 105.829 179.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 21.8 ptt? -76.95 152.29 35.34 Favored 'General case' 0 C--O 1.244 0.776 0 O-C-N 123.161 0.288 . . . . 75.14 110.36 -178.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.57 152.51 35.92 Favored 'General case' 0 C--O 1.249 1.05 0 N-CA-C 108.919 -0.771 . . . . 70.43 108.919 177.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -80.73 148.35 30.16 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 106.032 -1.84 . . . . 64.01 106.032 172.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.82 153.8 95.56 Favored Pre-proline 0 C--N 1.313 -0.993 0 N-CA-C 106.155 -1.794 . . . . 64.52 106.155 174.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -69.6 162.87 40.3 Favored 'Trans proline' 0 CA--C 1.514 -0.512 0 C-N-CA 115.465 -2.557 . . . . 52.15 114.032 177.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.52 151.97 27.15 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.265 -0.88 . . . . 73.34 110.872 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 51.0 m -114.47 150.83 34.19 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.634 -0.712 . . . . 75.41 109.866 -177.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.58 -35.0 79.05 Favored 'General case' 0 C--O 1.216 -0.675 0 CA-C-N 115.883 -0.599 . . . . 50.0 111.012 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.2 m -55.17 -40.51 70.74 Favored 'General case' 0 C--O 1.207 -1.173 0 C-N-CA 123.288 0.635 . . . . 75.44 111.351 -179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -62.45 -35.14 78.36 Favored 'General case' 0 CA--C 1.49 -1.334 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.544 -178.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.98 -35.79 69.61 Favored 'General case' 0 C--O 1.208 -1.118 0 CA-C-O 121.596 0.712 . . . . 73.33 111.609 -175.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 72.2 t -65.86 -43.83 92.97 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.314 0 N-CA-C 105.858 -1.904 . . . . 75.54 105.858 177.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.2 mt -64.57 -39.27 93.43 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 115.752 -0.658 . . . . 63.34 112.096 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 66.6 m -58.68 -46.29 87.56 Favored 'General case' 0 C--O 1.214 -0.767 0 N-CA-C 112.434 0.531 . . . . 55.31 112.434 176.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.69 -36.63 78.74 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.343 -0.848 . . . . 71.14 110.712 -179.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 mp -70.49 -30.47 67.27 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 109.95 -0.389 . . . . 73.33 109.95 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -63.3 -46.21 87.78 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 106.415 -1.698 . . . . 74.34 106.415 174.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.21 -39.25 92.15 Favored 'General case' 0 N--CA 1.435 -1.175 0 N-CA-C 116.009 1.855 . . . . 53.42 116.009 -178.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -73.35 -27.47 61.51 Favored 'General case' 0 C--N 1.306 -1.301 0 O-C-N 120.725 -1.234 . . . . 73.23 111.794 -179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.7 mm -87.58 -37.95 11.43 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.844 0 N-CA-C 113.284 0.846 . . . . 73.23 113.284 -178.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.1 mt -84.07 -23.91 30.62 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 108.044 -1.095 . . . . 71.31 108.044 -177.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.91 19.78 77.07 Favored Glycine 0 C--O 1.241 0.539 0 CA-C-O 118.701 -1.055 . . . . 73.13 112.49 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.5 m -90.98 162.77 2.39 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.713 0 CA-C-N 117.721 0.76 . . . . 44.43 109.648 -177.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.26 -26.38 39.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.266 0.555 . . . . 75.52 112.475 -174.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -148.76 155.06 40.44 Favored 'General case' 0 C--O 1.24 0.578 0 N-CA-C 113.124 0.787 . . . . 71.11 113.124 -176.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 58.9 t -138.79 130.2 35.77 Favored 'Isoleucine or valine' 0 C--O 1.258 1.548 0 O-C-N 123.903 0.752 . . . . 71.5 109.896 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -88.12 164.86 34.0 Favored Glycine 0 CA--C 1.541 1.664 0 C-N-CA 120.798 -0.715 . . . . 74.31 111.429 172.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -70.15 -18.25 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 O-C-N 121.046 -1.267 . . . . 72.5 110.877 177.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -114.13 17.08 17.94 Favored 'General case' 0 C--O 1.206 -1.206 0 N-CA-C 109.117 -0.698 . . . . 40.54 109.117 -174.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.89 126.36 33.42 Favored 'General case' 0 C--O 1.244 0.767 0 C-N-CA 120.176 -0.61 . . . . 65.54 111.23 -175.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.401 ' HB3' ' HB2' ' A' ' 36' ' ' ASP . . . -79.12 134.76 36.72 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-O 122.225 1.012 . . . . 65.33 109.12 -177.243 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -56.46 -38.53 71.78 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 115.799 -0.637 . . . . 75.24 111.751 -178.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -79.79 -18.94 49.75 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.756 1.021 . . . . 74.31 113.756 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.401 ' HB2' ' HB3' ' A' ' 33' ' ' ALA . 37.7 t0 -75.92 -34.81 59.92 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 107.104 -1.443 . . . . 71.54 107.104 -178.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.4 mt -79.75 20.62 0.58 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.559 -1.2 . . . . 72.44 113.466 174.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.29 6.9 68.15 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 114.524 0.57 . . . . 65.25 114.524 175.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -74.45 169.55 54.09 Favored Glycine 0 C--O 1.214 -1.149 0 C-N-CA 120.079 -1.057 . . . . 60.14 114.56 179.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 88.3 p -144.86 166.3 25.66 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.587 -0.523 . . . . 74.31 109.587 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.7 m -59.97 -32.0 70.41 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 112.983 0.734 . . . . 73.11 112.983 177.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.89 -42.46 66.76 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 123.673 0.608 . . . . 45.35 110.532 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.2 tp -66.22 -32.05 73.25 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 121.676 0.751 . . . . 75.53 109.994 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -58.97 -29.05 66.9 Favored 'General case' 0 C--O 1.191 -1.986 0 CA-C-O 121.456 0.646 . . . . 72.03 111.167 -178.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 59.9 mtt -64.79 -28.24 69.43 Favored 'General case' 0 C--O 1.212 -0.914 0 O-C-N 121.729 -0.607 . . . . 75.13 111.356 178.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -76.08 -37.94 57.62 Favored 'General case' 0 C--O 1.249 1.031 0 N-CA-C 108.458 -0.942 . . . . 64.34 108.458 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 34.8 tp -61.58 -46.94 87.76 Favored 'General case' 0 C--O 1.225 -0.185 0 O-C-N 123.921 0.763 . . . . 65.31 109.146 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.404 ' HA ' HD12 ' A' ' 51' ' ' ILE . 74.6 mt -59.94 -37.97 74.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-O 121.11 0.481 . . . . 73.45 109.919 -179.349 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.81 -42.91 94.51 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 121.445 -0.784 . . . . 73.3 111.382 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -68.77 -32.08 71.58 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 114.341 1.237 . . . . 44.45 114.341 177.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.407 HG21 ' HB2' ' A' ' 59' ' ' LEU . 97.9 mt -60.51 -33.62 55.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 N-CA-C 109.021 -0.733 . . . . 71.45 109.021 178.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -64.77 -33.09 75.16 Favored 'General case' 0 C--O 1.204 -1.318 0 O-C-N 121.301 -0.874 . . . . 74.01 112.354 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -80.37 -35.98 34.61 Favored 'General case' 0 C--N 1.309 -1.182 0 N-CA-C 107.96 -1.126 . . . . 72.41 107.96 -175.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -84.63 -47.61 10.33 Favored 'General case' 0 C--O 1.204 -1.313 0 CA-C-N 115.233 -0.894 . . . . 52.43 111.941 -173.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 65.1 mt -106.9 -1.93 21.84 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 118.577 0.626 . . . . 75.34 110.902 -171.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.71 24.34 74.07 Favored Glycine 0 CA--C 1.502 -0.769 0 CA-C-N 115.309 -0.86 . . . . 74.3 113.234 176.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.5 m -139.18 146.31 26.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 117.976 0.888 . . . . 75.52 112.044 -177.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -86.58 89.01 7.77 Favored 'General case' 0 C--O 1.251 1.133 0 CA-C-O 121.709 0.766 . . . . 52.4 109.049 176.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.407 ' HB2' HG21 ' A' ' 51' ' ' ILE . 1.4 tt -64.95 124.05 85.52 Favored Pre-proline 0 C--N 1.316 -0.863 0 CA-C-N 114.859 -1.064 . . . . 63.01 110.672 -174.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -62.75 132.76 38.83 Favored 'Trans proline' 0 C--O 1.218 -0.49 0 C-N-CA 120.889 1.06 . . . . 73.4 113.884 -178.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 12.2 tt -63.28 -21.64 28.81 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-O 121.727 0.775 . . . . 71.45 109.887 175.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 8.6 tpm_? -63.27 -33.47 75.58 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 118.708 -0.663 . . . . 74.34 111.826 174.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -73.73 -39.16 64.48 Favored 'General case' 0 CA--C 1.503 -0.836 0 CA-C-N 118.234 0.47 . . . . 63.23 111.166 177.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 11.3 mt -61.77 -40.25 94.51 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.078 0.466 . . . . 72.23 112.041 176.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -75.25 -20.7 59.05 Favored 'General case' 0 C--O 1.214 -0.796 0 C-N-CA 119.376 -0.929 . . . . 75.04 110.637 178.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.4 t -73.91 -34.73 64.49 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.853 -1.165 . . . . 61.23 107.853 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.3 t -156.35 110.35 2.05 Favored Pre-proline 0 C--N 1.318 -0.765 0 N-CA-C 108.154 -1.054 . . . . 71.33 108.154 178.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -83.26 0.94 9.32 Favored 'Trans proline' 0 C--O 1.216 -0.575 0 N-CA-C 117.478 2.069 . . . . 72.43 117.478 -174.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 71.6 p -92.17 155.65 42.63 Favored Pre-proline 0 C--N 1.316 -0.855 0 CA-C-N 118.527 0.603 . . . . 70.01 109.739 -177.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.61 -32.29 24.61 Favored 'Trans proline' 0 C--O 1.248 0.997 0 C-N-CA 115.81 -2.327 . . . . 52.43 112.812 -174.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.86 -31.03 51.21 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-O 122.065 0.936 . . . . 63.52 109.054 177.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -71.42 -40.63 59.85 Favored Glycine 0 C--O 1.25 1.096 0 C-N-CA 120.879 -0.677 . . . . 63.44 113.938 -177.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.6 p -68.31 -31.08 49.96 Favored 'Isoleucine or valine' 0 C--O 1.25 1.107 0 N-CA-C 109.083 -0.71 . . . . 61.35 109.083 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.18 96.43 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.302 0.572 . . . . 55.52 110.537 176.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 34.3 mtp-105 -72.57 -35.95 68.08 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 121.172 -0.955 . . . . 75.45 111.478 177.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.3 -42.81 99.08 Favored 'General case' 0 C--N 1.333 -0.115 0 N-CA-C 112.865 0.691 . . . . 61.35 112.865 -178.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.0 pp -73.63 -32.8 64.24 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.01 -0.737 . . . . 74.52 109.01 -178.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.05 -34.51 78.25 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 117.978 0.354 . . . . 74.04 110.664 177.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.66 -25.8 68.38 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-O 120.888 0.375 . . . . 64.35 111.983 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 58.5 tttp -66.61 -28.87 68.84 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 121.988 -0.445 . . . . 71.01 110.435 -178.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.3 m -66.01 -30.52 71.07 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.172 0.434 . . . . 71.41 112.172 -177.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.8 -19.53 65.76 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.055 0.455 . . . . 54.25 111.589 178.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.2 t -105.58 16.37 25.54 Favored 'General case' 0 C--O 1.248 0.997 0 CA-C-N 116.199 -0.455 . . . . 60.53 109.93 -177.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -136.67 148.17 47.24 Favored 'General case' 0 C--O 1.207 -1.146 0 CA-C-O 121.014 0.435 . . . . 74.34 111.28 -174.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 28.9 p -75.51 135.5 40.63 Favored 'General case' 0 C--O 1.249 1.051 0 CA-C-N 116.133 -0.485 . . . . 72.13 110.126 177.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 50.8 m170 -78.34 151.86 78.3 Favored Pre-proline 0 N--CA 1.44 -0.962 0 N-CA-C 108.079 -1.082 . . . . 71.54 108.079 177.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -76.97 -6.81 17.02 Favored 'Trans proline' 0 CA--C 1.534 0.475 0 N-CA-C 114.285 0.84 . . . . 71.43 114.285 -175.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -135.89 143.95 45.29 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 104.571 -2.381 . . . . 71.43 104.571 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -73.5 151.61 40.97 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 108.993 -0.743 . . . . 55.43 108.993 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -71.98 -24.22 61.55 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 115.822 -0.627 . . . . 64.1 111.535 -176.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? . . . . . 0 C--O 1.241 0.628 0 N-CA-C 105.062 -2.199 . . . . 71.43 105.062 -177.74 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 CA-C-O 118.446 -1.197 . . . . 43.04 111.075 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.31 150.15 49.41 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 107.864 -1.162 . . . . 54.24 107.864 176.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.9 tpt -76.83 135.67 38.91 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.096 -0.705 . . . . 62.45 109.096 179.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.42 153.55 39.16 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.73 -0.47 . . . . 64.31 109.73 179.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.1 mmtm -66.24 146.06 55.05 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.228 -1.027 . . . . 65.35 108.228 174.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.49 150.37 95.63 Favored Pre-proline 0 CA--C 1.539 0.549 0 N-CA-C 105.736 -1.949 . . . . 65.12 105.736 174.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -65.53 137.19 49.54 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 116.911 -1.593 . . . . 71.11 112.676 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -79.16 154.12 29.53 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 115.56 1.689 . . . . 74.51 115.56 -171.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.3 t -102.35 152.67 20.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.221 -0.9 . . . . 72.42 109.776 174.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.52 -29.29 69.91 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.181 0.515 . . . . 44.51 111.155 177.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 m -56.5 -36.7 69.45 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 121.252 0.548 . . . . 53.31 111.232 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.423 ' HG2' ' HA ' ' A' ' 71' ' ' ALA . 80.7 mt-10 -59.18 -36.89 76.12 Favored 'General case' 0 C--O 1.192 -1.969 0 CA-C-N 115.896 -0.593 . . . . 64.52 112.019 -177.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.419 ' H ' ' HG2' ' A' ' 13' ' ' LYS . 34.1 mmtt -74.22 -31.74 62.73 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 112.421 0.526 . . . . 65.42 112.421 -170.47 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.5 t -68.26 -47.21 79.05 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.678 0 N-CA-C 107.118 -1.438 . . . . 64.25 107.118 174.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 34.6 mt -60.84 -38.52 85.8 Favored 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 112.341 0.497 . . . . 74.13 112.341 179.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.5 m -58.41 -46.03 87.25 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.258 -0.276 . . . . 73.51 111.323 175.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.65 -37.64 85.22 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 121.234 -0.917 . . . . 61.15 110.516 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mp -62.98 -35.94 81.86 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.644 -0.707 . . . . 72.42 109.878 178.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -61.05 -43.95 98.12 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 107.775 -1.195 . . . . 74.21 107.775 178.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.8 -40.0 93.68 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 113.915 1.08 . . . . 53.13 113.915 -176.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -62.61 -35.57 79.98 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-O 121.868 0.842 . . . . 73.41 112.194 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.8 mm -86.97 -38.01 11.79 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 CA-C-N 115.052 -0.976 . . . . 72.43 112.975 -175.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.6 mt -88.36 -26.47 22.19 Favored 'General case' 0 C--O 1.217 -0.615 0 N-CA-C 113.54 0.941 . . . . 71.15 113.54 -176.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.57 31.33 41.27 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.838 -0.696 . . . . 73.11 113.121 -178.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 m -106.48 151.87 8.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 109.215 -0.661 . . . . 73.33 109.215 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -70.8 -37.01 73.25 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.945 1.461 . . . . 72.1 114.945 -175.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.2 mtt-85 -135.79 155.87 49.68 Favored 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 115.672 -0.695 . . . . 74.24 109.621 -176.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.7 t -134.18 131.15 55.23 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.9 0 O-C-N 124.478 1.111 . . . . 71.44 109.443 178.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.506 ' H ' ' CG ' ' A' ' 32' ' ' ASP . . . -91.73 169.85 33.0 Favored Glycine 0 CA--C 1.528 0.86 0 N-CA-C 110.269 -1.132 . . . . 51.32 110.269 176.072 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -74.33 -21.02 17.41 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.545 0 CA-C-O 121.772 0.796 . . . . 74.04 110.117 178.059 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -101.7 10.55 39.96 Favored 'General case' 0 C--O 1.206 -1.186 0 CA-C-N 114.207 -1.361 . . . . 72.41 112.584 -175.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.506 ' CG ' ' H ' ' A' ' 29' ' ' GLY . 2.7 m-20 -69.81 118.44 12.67 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 121.805 -0.56 . . . . 61.3 111.239 -170.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.03 115.09 21.7 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 108.019 -1.104 . . . . 64.15 108.019 -179.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -48.74 -43.61 37.68 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 113.532 0.938 . . . . 71.32 113.532 -173.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -74.18 -20.74 60.1 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 114.144 1.165 . . . . 64.14 114.144 -177.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -78.14 -29.46 48.8 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 121.692 0.758 . . . . 74.32 109.044 -178.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.403 HD11 ' HB3' ' A' ' 32' ' ' ASP . 1.2 mt -81.35 18.56 1.11 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.289 -0.869 . . . . 70.21 110.993 177.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.78 7.48 81.26 Favored Glycine 0 CA--C 1.516 0.129 0 C-N-CA 121.363 -0.446 . . . . 50.22 113.013 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.98 145.38 47.89 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-O 121.925 0.736 . . . . 63.21 112.377 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 87.0 p -128.22 168.91 14.79 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.726 -0.842 . . . . 75.22 108.726 -178.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.2 p -61.41 -32.8 72.76 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.067 -0.346 . . . . 71.23 110.067 177.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.53 -43.41 85.26 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 120.848 0.356 . . . . 73.34 110.505 177.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.4 mt -68.51 -32.0 71.65 Favored 'General case' 0 C--N 1.329 -0.314 0 O-C-N 122.294 -0.254 . . . . 62.13 110.488 179.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.66 -34.12 75.17 Favored 'General case' 0 C--O 1.214 -0.812 0 CA-C-O 121.517 0.675 . . . . 61.32 111.237 177.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 67.1 mtm -65.22 -35.54 81.38 Favored 'General case' 0 C--N 1.306 -1.283 0 O-C-N 120.705 -1.247 . . . . 60.34 110.723 175.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -74.13 -31.91 62.94 Favored 'General case' 0 C--O 1.207 -1.132 0 O-C-N 121.304 -0.873 . . . . 71.5 109.47 -179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 55.3 tp -63.37 -48.1 79.34 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 107.427 -1.323 . . . . 64.25 107.427 178.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 63.6 mt -60.17 -38.19 76.18 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.798 0 CA-C-N 115.622 -0.717 . . . . 50.05 109.688 -178.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.81 -40.95 98.96 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 120.148 -0.621 . . . . 72.13 110.348 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.25 -39.12 92.24 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.151 0.426 . . . . 64.43 112.151 178.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.456 HD13 HD13 ' A' ' 59' ' ' LEU . 96.8 mt -59.03 -33.77 51.15 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.146 0 N-CA-C 113.195 0.813 . . . . 74.43 113.195 177.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -61.26 -32.28 72.09 Favored 'General case' 0 C--O 1.206 -1.186 0 O-C-N 120.456 -1.403 . . . . 74.2 111.481 -178.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -80.06 -33.98 38.52 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-O 123.264 1.507 . . . . 73.51 107.733 -171.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -96.29 -43.53 7.65 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 113.415 -1.72 . . . . 74.13 112.956 -169.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.6 mt -102.57 -9.26 20.3 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.009 -1.057 . . . . 74.42 110.515 -177.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.79 17.7 79.61 Favored Glycine 0 C--N 1.354 1.559 0 CA-C-N 114.953 -1.021 . . . . 61.52 115.515 176.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.9 m -144.15 153.46 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 117.469 0.635 . . . . 72.22 111.452 -177.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -86.03 103.4 14.68 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.222 -1.029 . . . . 74.42 108.222 174.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.456 HD13 HD13 ' A' ' 51' ' ' ILE . 1.3 tt -61.91 127.34 89.0 Favored Pre-proline 0 C--N 1.324 -0.543 0 C-N-CA 120.23 -0.588 . . . . 64.44 109.595 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -64.19 128.89 22.7 Favored 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 118.479 -0.547 . . . . 74.44 110.874 176.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 13.0 tt -59.58 -23.53 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 CA-C-O 121.768 0.794 . . . . 70.24 110.15 177.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -58.65 -31.75 68.43 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.425 -0.807 . . . . 61.3 112.126 175.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -75.02 -39.75 60.94 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.167 -1.049 . . . . 65.21 108.167 -179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.4 mt -64.96 -37.98 89.44 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-O 121.023 0.44 . . . . 74.21 110.893 -179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -71.25 -28.63 64.31 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.378 -0.529 . . . . 75.3 111.2 178.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.0 t -78.59 -28.47 45.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.128 0.49 . . . . 72.43 110.791 178.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.0 m -152.26 99.66 2.85 Favored Pre-proline 0 C--N 1.328 -0.353 0 N-CA-C 108.497 -0.927 . . . . 53.21 108.497 -177.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -79.98 8.9 3.8 Favored 'Trans proline' 0 C--N 1.345 0.359 0 N-CA-C 115.688 1.38 . . . . 74.45 115.688 -176.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 71.8 p -105.1 151.81 39.58 Favored Pre-proline 0 CA--C 1.511 -0.535 0 CA-C-N 118.126 0.421 . . . . 72.32 110.925 -178.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -67.9 -32.82 28.13 Favored 'Trans proline' 0 C--O 1.248 0.996 0 C-N-CA 116.652 -1.765 . . . . 73.23 113.139 -176.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.423 ' HA ' ' HG2' ' A' ' 12' ' ' GLU . . . -78.61 -31.46 47.05 Favored 'General case' 0 N--CA 1.442 -0.873 0 C-N-CA 118.71 -1.196 . . . . 65.33 110.783 177.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -71.22 -42.93 56.89 Favored Glycine 0 CA--C 1.496 -1.096 0 C-N-CA 118.843 -1.646 . . . . 51.32 111.064 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.8 p -65.09 -36.04 76.85 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 C-N-CA 120.336 -0.546 . . . . 51.13 110.15 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.38 -40.8 97.64 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 123.006 0.523 . . . . 70.31 110.719 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.1 mtp85 -75.42 -34.61 61.03 Favored 'General case' 0 C--N 1.315 -0.902 0 O-C-N 122.075 -0.391 . . . . 62.54 110.796 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.26 -49.25 70.3 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 111.745 0.276 . . . . 65.41 111.745 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 pp -65.25 -33.68 76.55 Favored 'General case' 0 CA--C 1.507 -0.696 0 C-N-CA 120.825 -0.35 . . . . 72.05 111.898 177.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.95 -42.75 99.91 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.245 0.545 . . . . 51.22 109.631 177.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.13 -40.98 77.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.928 -0.482 . . . . 74.22 110.178 178.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.29 -35.55 81.23 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.278 0.473 . . . . 60.52 112.278 -178.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.1 p -83.95 -8.87 59.06 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.684 0.278 . . . . 64.44 111.707 -178.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.6 104.47 13.75 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.891 0.377 . . . . 72.24 110.245 177.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.4 m -66.78 -8.95 32.07 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 121.214 0.531 . . . . 73.34 112.319 176.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 85.5 m95 -82.34 -12.26 58.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.245 -0.434 . . . . 72.12 111.879 177.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 75.7 p -119.77 -45.11 2.5 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.658 0.266 . . . . 75.11 111.02 178.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -93.32 151.83 40.63 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 110.306 -0.257 . . . . 75.32 110.306 175.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -67.22 162.92 36.38 Favored 'Trans proline' 0 C--O 1.238 0.521 0 C-N-CA 117.123 -1.451 . . . . 73.3 110.43 174.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 69.1 tp60 -54.7 128.18 31.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.931 0.872 . . . . 73.23 110.707 -177.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -104.76 155.28 19.03 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.317 -1.31 . . . . 71.34 109.385 -175.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -145.84 -33.84 0.33 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.831 -0.622 . . . . 72.04 110.164 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm . . . . . 0 C--O 1.247 0.932 0 N-CA-C 107.222 -1.399 . . . . 65.23 107.222 177.652 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.116 0 CA-C-O 118.147 -1.363 . . . . 72.4 110.302 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.31 153.2 43.3 Favored 'General case' 0 C--O 1.242 0.692 0 N-CA-C 107.322 -1.362 . . . . 75.24 107.322 176.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -76.21 160.47 29.66 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-O 120.691 0.282 . . . . 75.43 110.822 -177.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.25 153.95 40.4 Favored 'General case' 0 C--O 1.245 0.864 0 N-CA-C 109.218 -0.66 . . . . 73.35 109.218 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -88.03 155.17 19.95 Favored 'General case' 0 N--CA 1.435 -1.218 0 N-CA-C 106.78 -1.563 . . . . 73.42 106.78 176.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.3 150.1 80.91 Favored Pre-proline 0 C--N 1.313 -0.982 0 N-CA-C 108.223 -1.029 . . . . 75.05 108.223 177.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -71.74 149.08 53.87 Favored 'Trans proline' 0 CA--C 1.515 -0.447 0 C-N-CA 115.301 -2.666 . . . . 62.41 114.088 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -102.69 146.19 28.57 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 108.174 -1.047 . . . . 63.43 108.174 178.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 78.9 p -81.23 161.2 24.06 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.281 -1.007 . . . . 75.31 108.281 172.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.31 -34.44 75.24 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 109.249 -0.648 . . . . 65.52 109.249 175.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m -59.57 -41.76 90.91 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-N 115.537 -0.756 . . . . 75.32 112.381 -179.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -60.09 -40.27 89.0 Favored 'General case' 0 CA--C 1.492 -1.262 0 CA-C-N 116.297 -0.41 . . . . 62.21 110.391 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.2 mtpp -66.3 -39.62 89.47 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 120.179 -0.608 . . . . 72.01 111.277 -175.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 71.2 t -67.65 -52.75 37.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-O 121.495 0.664 . . . . 73.31 110.898 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 pp -72.58 -26.21 61.63 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 119.318 -0.953 . . . . 72.54 112.483 -175.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.7 t -67.12 -41.57 85.95 Favored 'General case' 0 C--O 1.194 -1.867 0 N-CA-C 109.83 -0.433 . . . . 74.43 109.83 175.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.47 -37.57 84.11 Favored 'General case' 0 C--O 1.25 1.088 0 N-CA-C 108.269 -1.012 . . . . 62.21 108.269 178.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tp -68.54 -29.36 67.92 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 115.359 -0.837 . . . . 73.53 111.407 -178.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -60.75 -44.2 97.01 Favored 'General case' 0 C--O 1.211 -0.956 0 N-CA-C 107.377 -1.342 . . . . 72.23 107.377 175.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.09 91.38 Favored 'General case' 0 N--CA 1.427 -1.585 0 N-CA-C 112.352 0.501 . . . . 74.23 112.352 -175.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -78.73 -28.29 44.94 Favored 'General case' 0 N--CA 1.444 -0.774 0 N-CA-C 114.455 1.28 . . . . 73.41 114.455 -177.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.4 mm -82.26 -33.09 11.12 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 CA-C-O 121.458 0.646 . . . . 74.14 111.362 -178.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.2 mt -89.08 -26.37 21.41 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 115.335 -0.848 . . . . 72.51 109.774 -179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.13 28.58 58.12 Favored Glycine 0 C--O 1.24 0.482 0 CA-C-O 119.642 -0.532 . . . . 73.14 113.268 179.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.2 m -101.04 158.55 4.06 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.501 0 N-CA-C 112.768 0.655 . . . . 74.01 112.768 -176.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.6 -36.66 84.39 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-O 121.948 0.88 . . . . 64.53 112.495 -175.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 83.0 mtm180 -146.56 157.42 43.73 Favored 'General case' 0 C--O 1.255 1.391 0 C-N-CA 123.734 0.813 . . . . 71.34 109.19 -176.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.9 p -147.64 137.54 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.31 0 N-CA-C 103.621 -2.733 . . . . 54.02 103.621 171.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.596 ' H ' ' HB2' ' A' ' 32' ' ' ASP . . . -104.19 169.02 17.15 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 108.124 -1.99 . . . . 70.21 108.124 178.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.451 ' HA ' ' HG2' ' A' ' 70' ' ' PRO . 0.1 OUTLIER -67.84 -21.48 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 CA-C-N 117.552 0.676 . . . . 74.2 110.131 178.7 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -105.64 12.31 31.27 Favored 'General case' 0 C--O 1.196 -1.754 0 CA-C-O 121.912 0.863 . . . . 73.11 111.441 -177.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.596 ' HB2' ' H ' ' A' ' 29' ' ' GLY . 3.4 t0 -88.2 139.07 30.88 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 120.859 -1.151 . . . . 65.15 112.484 -173.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -89.79 134.18 34.32 Favored 'General case' 0 C--N 1.32 -0.677 0 O-C-N 120.452 -1.405 . . . . 71.33 110.311 -173.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.2 t80 -55.02 -33.97 63.1 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-N 116.07 -0.513 . . . . 75.04 111.052 179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -85.99 -16.22 39.0 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 114.903 1.445 . . . . 62.22 114.903 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -76.57 -34.92 58.45 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 106.066 -1.827 . . . . 70.44 106.066 178.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 30.8 mt -78.09 15.45 0.91 Allowed 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 113.926 -1.488 . . . . 74.24 113.104 178.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 78.82 22.3 66.68 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 115.164 0.825 . . . . 63.41 115.164 176.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.87 157.25 42.66 Favored Glycine 0 C--O 1.212 -1.24 0 N-CA-C 116.721 1.448 . . . . 22.31 116.721 -178.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.9 m -132.07 160.97 34.38 Favored 'General case' 0 CA--C 1.513 -0.454 0 C-N-CA 122.97 0.508 . . . . 72.24 111.618 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.5 p -60.91 -35.09 75.78 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 121.87 -0.518 . . . . 74.01 112.322 178.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.73 -39.46 93.67 Favored 'General case' 0 C--O 1.244 0.782 0 O-C-N 123.256 0.348 . . . . 62.23 110.535 177.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.9 mt -73.28 -27.66 61.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.858 -0.61 . . . . 63.4 110.24 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.99 97.71 Favored 'General case' 0 C--O 1.194 -1.831 0 O-C-N 121.224 -0.922 . . . . 53.33 109.909 176.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 15.1 mmt -65.8 -34.38 78.03 Favored 'General case' 0 C--O 1.19 -2.039 0 O-C-N 121.71 -0.619 . . . . 71.44 110.635 177.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -40.64 77.97 Favored 'General case' 0 C--O 1.27 2.168 0 N-CA-C 112.838 0.681 . . . . 63.45 112.838 178.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 36.9 tp -60.82 -49.0 79.24 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 123.813 0.845 . . . . 71.32 109.487 173.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 67.7 mt -59.02 -41.35 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-O 121.319 0.58 . . . . 41.12 109.793 -179.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.55 -37.03 85.54 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.59 -0.694 . . . . 63.51 112.558 178.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.9 tpt85 -68.96 -35.02 76.27 Favored 'General case' 0 C--O 1.183 -2.437 0 CA-C-O 120.861 0.362 . . . . 74.32 110.225 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.8 mt -62.08 -27.64 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.403 -2.784 0 CA-C-O 121.753 0.787 . . . . 74.22 109.645 -176.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -68.54 -30.63 69.47 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.848 -0.615 . . . . 74.1 111.421 179.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -79.05 -34.45 43.75 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.043 -1.095 . . . . 61.41 108.043 -178.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -82.69 -48.96 10.29 Favored 'General case' 0 C--O 1.208 -1.112 0 N-CA-C 114.515 1.302 . . . . 75.41 114.515 -176.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 82.3 mt -110.59 -4.79 15.27 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.711 0.634 . . . . 53.41 112.711 -170.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 66.93 25.7 73.2 Favored Glycine 0 CA--C 1.502 -0.755 0 CA-C-N 114.901 -1.045 . . . . 71.25 113.503 178.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 18.4 m -140.51 156.39 23.62 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.354 0 O-C-N 121.783 -0.834 . . . . 73.14 109.306 -179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -92.54 111.38 22.95 Favored 'General case' 0 C--O 1.243 0.759 0 N-CA-C 109.454 -0.573 . . . . 60.42 109.454 177.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.1 tp -65.95 120.28 67.95 Favored Pre-proline 0 CA--C 1.543 0.711 0 N-CA-C 109.489 -0.56 . . . . 75.32 109.489 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -63.79 124.09 13.05 Favored 'Trans proline' 0 CA--C 1.518 -0.304 0 N-CA-C 110.583 -0.583 . . . . 64.34 110.583 176.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 14.9 tt -60.85 -23.18 28.58 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.95 0 CA-C-O 121.405 0.621 . . . . 71.32 111.509 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -35.73 81.83 Favored 'General case' 0 C--O 1.198 -1.607 0 O-C-N 121.445 -0.784 . . . . 71.53 111.203 177.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 82.6 mm-40 -70.07 -39.43 75.65 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-O 121.474 0.654 . . . . 74.03 109.598 179.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 31.2 tp -63.43 -41.99 98.68 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.604 -0.726 . . . . 72.2 111.568 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -71.22 -30.07 65.91 Favored 'General case' 0 C--O 1.202 -1.426 0 C-N-CA 119.846 -0.742 . . . . 74.21 110.79 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.3 t -74.83 -25.53 59.07 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 122.147 -0.346 . . . . 74.05 110.793 -177.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.1 m -152.32 92.24 3.51 Favored Pre-proline 0 C--N 1.31 -1.112 0 N-CA-C 106.976 -1.49 . . . . 73.34 106.976 -178.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -76.94 3.97 6.14 Favored 'Trans proline' 0 C--O 1.216 -0.581 0 N-CA-C 115.829 1.434 . . . . 71.04 115.829 -178.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 31.9 p -93.92 150.11 38.04 Favored Pre-proline 0 C--O 1.242 0.691 0 N-CA-C 108.394 -0.965 . . . . 61.13 108.394 178.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.451 ' HG2' ' HA ' ' A' ' 30' ' ' VAL . 63.4 Cg_endo -65.83 -34.78 38.58 Favored 'Trans proline' 0 C--O 1.248 1.023 0 C-N-CA 116.795 -1.67 . . . . 73.01 113.577 -175.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.39 -26.26 59.99 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.959 0.885 . . . . 71.21 110.93 178.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -75.03 -47.99 12.25 Favored Glycine 0 N--CA 1.438 -1.2 0 CA-C-O 118.713 -1.048 . . . . 73.52 112.32 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.6 p -66.18 -32.66 59.11 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.574 0 CA-C-N 117.945 0.872 . . . . 73.42 110.271 -178.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.69 -48.42 79.35 Favored 'General case' 0 C--O 1.204 -1.296 0 N-CA-C 113.837 1.051 . . . . 53.21 113.837 176.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.9 ptp180 -73.08 -31.3 64.29 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 119.651 -0.82 . . . . 62.44 109.778 -177.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.89 -46.08 89.52 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 112.662 0.616 . . . . 71.33 112.662 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 pp -75.04 -31.19 61.24 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.045 -0.525 . . . . 72.24 110.045 179.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.05 -27.59 67.52 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 111.65 0.241 . . . . 23.23 111.65 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.7 -24.37 67.62 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-O 120.957 0.408 . . . . 75.04 111.882 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.9 pttp -70.85 -9.95 58.61 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 112.347 0.499 . . . . 72.54 112.347 -177.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.5 m -81.07 -9.23 59.85 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 111.631 0.234 . . . . 72.54 111.631 178.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.57 147.03 53.84 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 120.496 0.188 . . . . 62.01 111.043 179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 65.4 p -70.71 -12.72 61.73 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 121.503 0.668 . . . . 74.01 112.419 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 48.5 p90 -110.51 17.53 20.67 Favored 'General case' 0 CA--C 1.509 -0.606 0 O-C-N 121.994 -0.441 . . . . 62.31 111.403 177.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.8 t -68.53 148.89 49.91 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.753 -0.462 . . . . 74.24 109.753 177.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 32.8 p80 -63.99 154.65 81.12 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 107.215 -1.402 . . . . 54.03 107.215 173.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -69.38 149.26 69.07 Favored 'Trans proline' 0 C--N 1.352 0.729 0 C-N-CA 117.731 -1.046 . . . . 73.11 111.039 179.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -75.75 118.57 18.71 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 107.206 -1.405 . . . . 74.02 107.206 175.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -78.12 124.05 27.6 Favored 'General case' 0 N--CA 1.446 -0.626 0 N-CA-C 106.723 -1.584 . . . . 45.42 106.723 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -124.19 163.28 21.89 Favored 'General case' 0 C--O 1.248 1.01 0 N-CA-C 113.033 0.753 . . . . 75.12 113.033 -172.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? . . . . . 0 CA--C 1.508 -0.658 0 N-CA-C 102.758 -3.053 . . . . 71.03 102.758 177.116 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.78 0 CA-C-O 118.099 -1.389 . . . . 55.1 110.977 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -70.71 149.96 46.42 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 106.489 -1.671 . . . . 64.42 106.489 175.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.0 ptp -73.95 152.61 40.06 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 110.026 -0.361 . . . . 51.33 110.026 -177.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.36 152.51 45.57 Favored 'General case' 0 C--O 1.255 1.39 0 N-CA-C 108.38 -0.97 . . . . 72.42 108.38 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 42.2 tttm -63.67 130.38 44.02 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 107.528 -1.286 . . . . 74.4 107.528 178.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.17 141.13 93.66 Favored Pre-proline 0 C--O 1.263 1.788 0 O-C-N 123.578 0.549 . . . . 70.54 111.621 -177.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -78.09 178.95 6.98 Favored 'Trans proline' 0 C--O 1.274 2.297 0 CA-C-O 123.455 1.356 . . . . 61.05 110.323 177.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -80.25 163.33 24.08 Favored 'General case' 0 C--N 1.309 -1.154 0 O-C-N 120.733 -1.229 . . . . 64.11 108.476 -176.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.7 t -156.54 175.96 13.34 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 116.118 -0.492 . . . . 75.01 110.755 177.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.51 -40.34 86.78 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 115.747 1.758 . . . . 74.52 115.747 -169.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.5 m -73.89 -40.33 63.27 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 122.596 1.189 . . . . 71.25 111.903 -174.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.2 mp0 -62.29 -39.66 93.7 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 114.685 -1.143 . . . . 64.24 112.154 -174.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -66.88 -32.29 73.46 Favored 'General case' 0 C--O 1.21 -0.992 0 N-CA-C 113.252 0.834 . . . . 74.14 113.252 -178.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 87.2 t -69.8 -42.94 80.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 N-CA-C 107.03 -1.47 . . . . 74.21 107.03 -179.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.6 mt -64.37 -39.35 93.71 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.446 -0.797 . . . . 51.32 111.636 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 47.5 m -62.09 -44.98 95.48 Favored 'General case' 0 C--O 1.209 -1.054 0 N-CA-C 111.796 0.295 . . . . 65.43 111.796 175.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.37 -41.23 96.82 Favored 'General case' 0 C--N 1.316 -0.863 0 O-C-N 120.905 -1.122 . . . . 72.01 109.639 -178.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 mp -65.45 -32.38 73.97 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-O 120.992 0.425 . . . . 71.11 111.12 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -63.52 -45.39 90.83 Favored 'General case' 0 C--O 1.203 -1.387 0 N-CA-C 108.348 -0.982 . . . . 73.13 108.348 174.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.52 -41.29 97.1 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-O 121.403 0.621 . . . . 62.52 112.66 -177.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.87 -42.21 97.59 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 123.131 0.572 . . . . 73.32 111.852 -177.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.8 mt -88.21 -35.74 8.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 120.531 -0.468 . . . . 44.22 111.917 -172.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.0 mt -83.97 -20.66 32.47 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 123.7 0.625 . . . . 71.11 110.337 -177.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.19 31.31 52.75 Favored Glycine 0 CA--C 1.498 -0.978 0 CA-C-O 119.283 -0.732 . . . . 71.23 113.929 176.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -110.43 153.46 12.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 CA-C-O 120.943 0.402 . . . . 65.4 110.308 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -71.38 -31.76 67.69 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 114.388 1.255 . . . . 65.04 114.388 -174.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 78.3 mtp180 -140.4 154.46 46.71 Favored 'General case' 0 CA--C 1.5 -0.978 0 N-CA-C 109.664 -0.495 . . . . 71.11 109.664 -177.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 56.4 t -134.01 126.36 50.05 Favored 'Isoleucine or valine' 0 C--O 1.245 0.839 0 O-C-N 124.865 1.353 . . . . 54.44 109.845 176.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -84.5 158.74 34.32 Favored Glycine 0 C--N 1.336 0.576 0 N-CA-C 110.499 -1.04 . . . . 75.24 110.499 174.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.4 m -65.68 -14.14 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 O-C-N 121.234 -1.156 . . . . 64.21 111.982 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -119.11 15.15 13.22 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 116.531 -0.304 . . . . 74.31 111.436 -175.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -74.01 126.72 31.11 Favored 'General case' 0 C--O 1.24 0.557 0 C-N-CA 119.516 -0.874 . . . . 63.13 110.54 -176.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.65 128.13 33.05 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 108.449 -0.945 . . . . 62.52 108.449 -178.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -52.13 -38.86 58.86 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.776 -0.647 . . . . 73.51 112.429 -176.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -78.48 -15.94 58.07 Favored 'General case' 0 C--O 1.212 -0.895 0 N-CA-C 115.85 1.796 . . . . 75.04 115.85 -178.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -79.8 -31.76 40.72 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 107.021 -1.474 . . . . 63.14 107.021 -179.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 8.6 mp -84.62 21.14 1.57 Allowed 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 113.903 -1.498 . . . . 74.43 111.122 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.59 4.08 73.71 Favored Glycine 0 N--CA 1.459 0.17 0 N-CA-C 115.211 0.844 . . . . 75.15 115.211 178.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.22 157.0 53.52 Favored Glycine 0 C--O 1.251 1.171 0 CA-C-O 122.962 1.312 . . . . 45.45 115.085 179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 75.9 p -142.76 174.86 10.28 Favored 'General case' 0 C--O 1.213 -0.832 0 N-CA-C 108.281 -1.007 . . . . 63.55 108.281 -176.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.7 p -65.24 -29.06 69.82 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 122.208 -0.307 . . . . 64.52 111.316 174.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.7 -40.27 69.62 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-O 121.12 0.486 . . . . 62.44 109.728 177.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.7 mt -74.91 -24.53 58.53 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 121.633 -0.667 . . . . 72.22 110.133 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.77 -30.88 71.91 Favored 'General case' 0 C--O 1.202 -1.399 0 O-C-N 121.341 -0.849 . . . . 72.32 109.683 175.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 60.5 mtt -68.6 -33.97 74.98 Favored 'General case' 0 C--O 1.219 -0.503 0 O-C-N 121.18 -0.95 . . . . 64.14 110.081 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -70.72 -40.9 72.54 Favored 'General case' 0 C--O 1.241 0.658 0 N-CA-C 108.356 -0.979 . . . . 73.33 108.356 179.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 58.4 tp -60.45 -50.09 74.96 Favored 'General case' 0 C--N 1.348 0.538 0 O-C-N 124.101 0.875 . . . . 63.12 110.465 178.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 39.8 mt -60.96 -40.49 85.64 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.804 0 N-CA-C 109.709 -0.478 . . . . 71.11 109.709 -177.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.5 -41.18 96.59 Favored 'General case' 0 C--O 1.216 -0.659 0 O-C-N 122.357 -0.214 . . . . 73.54 111.224 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -66.59 -33.13 74.99 Favored 'General case' 0 C--O 1.189 -2.108 0 CA-C-O 121.444 0.64 . . . . 72.21 111.4 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.6 mt -65.23 -26.27 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.4 -2.965 0 CA-C-N 115.861 -0.609 . . . . 75.01 109.785 -175.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -67.71 -32.78 73.66 Favored 'General case' 0 C--O 1.205 -1.278 0 C-N-CA 119.87 -0.732 . . . . 73.32 111.387 178.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -74.13 -40.54 62.57 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 107.408 -1.331 . . . . 73.21 107.408 -176.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -83.37 -46.64 12.33 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 115.412 1.634 . . . . 51.45 115.412 -173.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 77.3 mt -105.57 -8.21 18.13 Favored 'General case' 0 CA--C 1.504 -0.803 0 O-C-N 121.404 -0.81 . . . . 63.13 111.415 -173.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.74 27.21 73.53 Favored Glycine 0 C--O 1.246 0.849 0 CA-C-O 118.349 -1.251 . . . . 73.2 112.609 178.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 33.6 m -141.02 157.25 22.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 CA-C-N 118.553 1.177 . . . . 43.14 111.719 -178.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -86.45 101.72 13.41 Favored 'General case' 0 C--O 1.218 -0.558 0 C-N-CA 123.735 0.814 . . . . 70.33 111.018 177.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -62.46 117.6 32.55 Favored Pre-proline 0 C--O 1.239 0.545 0 C-N-CA 120.726 -0.39 . . . . 74.44 110.463 -179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -65.67 117.53 4.7 Favored 'Trans proline' 0 C--N 1.35 0.616 0 N-CA-C 113.672 0.605 . . . . 71.2 113.672 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 17.8 tt -59.38 -26.84 35.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-O 121.598 0.713 . . . . 71.53 112.522 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -67.39 -33.72 75.78 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 121.513 -0.742 . . . . 74.44 111.07 176.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.14 -39.03 63.57 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 108.458 -0.941 . . . . 54.04 108.458 177.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 27.2 tp -60.04 -44.2 94.82 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.847 -0.615 . . . . 72.22 110.756 178.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.1 m-30 -73.25 -26.68 61.21 Favored 'General case' 0 C--N 1.319 -0.725 0 O-C-N 121.684 -0.635 . . . . 72.32 111.793 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 75.6 m -74.98 -25.99 59.25 Favored 'General case' 0 N--CA 1.48 1.075 0 O-C-N 122.032 -0.418 . . . . 73.23 111.058 177.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 21.4 p -153.46 88.53 3.68 Favored Pre-proline 0 CA--C 1.547 0.854 0 N-CA-C 107.995 -1.113 . . . . 63.55 107.995 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -81.3 35.41 0.58 Allowed 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.604 2.203 . . . . 74.53 114.161 -174.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 34.4 p -120.39 153.76 56.2 Favored Pre-proline 0 N--CA 1.447 -0.588 0 N-CA-C 106.299 -1.741 . . . . 75.52 106.299 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -68.82 -38.3 10.31 Favored 'Trans proline' 0 C--O 1.213 -0.73 0 C-N-CA 115.86 -2.293 . . . . 60.43 113.829 -172.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.19 -21.42 42.99 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 120.88 -1.138 . . . . 62.11 111.45 177.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.69 -46.94 28.77 Favored Glycine 0 C--O 1.223 -0.545 0 C-N-CA 121.271 -0.49 . . . . 72.41 111.887 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 9.4 p -64.56 -36.26 76.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.193 -0.669 . . . . 72.15 109.193 -179.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.53 -49.53 77.41 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-O 121.694 0.759 . . . . 54.43 111.851 179.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 55.3 mtt85 -69.42 -36.63 76.89 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 121.381 -0.824 . . . . 44.34 110.298 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.06 -33.6 75.86 Favored 'General case' 0 C--O 1.236 0.37 0 N-CA-C 113.0 0.741 . . . . 72.01 113.0 -176.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.0 pp -83.29 -37.78 23.02 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 123.529 0.518 . . . . 75.23 111.916 178.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.32 -35.0 74.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.117 0.484 . . . . 52.24 110.793 -178.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.75 -28.42 68.4 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 116.177 -0.465 . . . . 71.0 111.569 178.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -96.09 -13.36 23.71 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.518 0.933 . . . . 73.4 113.518 -175.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 53.9 p -99.14 -0.14 42.25 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 108.148 -1.056 . . . . 61.55 108.148 176.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.11 160.28 32.24 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.881 -0.785 . . . . 75.11 108.881 178.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.9 m -70.88 -13.43 62.03 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.543 0.572 . . . . 61.13 112.543 177.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -76.01 147.08 39.04 Favored 'General case' 0 C--O 1.208 -1.095 0 C-N-CA 122.769 0.427 . . . . 75.22 110.34 179.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.7 m -116.18 148.75 40.06 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-N 114.811 -1.086 . . . . 60.32 108.877 176.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -87.62 148.82 44.91 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 115.533 -0.758 . . . . 75.52 109.733 176.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -72.76 152.03 52.36 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 117.004 -1.531 . . . . 55.42 110.808 176.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -142.4 137.11 30.19 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 108.398 -0.964 . . . . 75.4 108.398 179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -81.31 122.34 27.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.819 -0.628 . . . . 72.34 109.956 -178.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -75.96 134.53 40.17 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 107.657 -1.238 . . . . 53.41 107.657 176.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? . . . . . 0 C--O 1.253 1.269 0 CA-C-O 116.155 -1.879 . . . . 75.4 110.114 -177.587 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.518 4.163 0 CA-C-O 117.217 -1.88 . . . . 53.1 111.671 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.26 152.84 51.17 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 106.606 -1.627 . . . . 63.12 106.606 177.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.5 mpt? -62.68 155.84 25.23 Favored 'General case' 0 C--O 1.208 -1.112 0 C-N-CA 124.652 1.181 . . . . 72.32 112.144 175.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.61 137.21 44.14 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-N 114.249 -1.341 . . . . 44.4 114.198 -175.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.8 ttmt -72.79 133.0 44.31 Favored 'General case' 0 C--O 1.189 -2.1 0 N-CA-C 113.326 0.861 . . . . 71.22 113.326 175.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.23 152.57 87.99 Favored Pre-proline 0 C--N 1.308 -1.217 0 N-CA-C 107.024 -1.472 . . . . 41.14 107.024 176.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.5 141.79 35.45 Favored 'Trans proline' 0 C--O 1.204 -1.176 0 C-N-CA 117.333 -1.311 . . . . 71.2 110.122 -175.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -78.57 144.31 35.67 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.571 -0.706 . . . . 72.42 111.019 -179.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.3 m -83.53 159.86 21.59 Favored 'General case' 0 C--O 1.241 0.625 0 CA-C-O 121.241 0.543 . . . . 74.23 111.759 176.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.73 -38.39 78.27 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 113.167 0.802 . . . . 72.54 113.167 -173.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.45 -43.51 32.17 Favored 'General case' 0 C--O 1.217 -0.609 0 C-N-CA 123.479 0.712 . . . . 64.12 109.276 178.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -54.17 -46.94 72.47 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 112.97 0.73 . . . . 73.4 112.97 -176.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -68.8 -24.96 64.46 Favored 'General case' 0 C--O 1.27 2.154 0 N-CA-C 113.169 0.803 . . . . 74.44 113.169 -173.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.7 t -76.72 -49.17 24.47 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.768 0 N-CA-C 107.197 -1.408 . . . . 62.02 107.197 177.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.3 mt -58.15 -42.88 86.86 Favored 'General case' 0 C--O 1.214 -0.794 0 N-CA-C 108.4 -0.963 . . . . 72.52 108.4 -175.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.75 -47.16 86.77 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.558 0.694 . . . . 75.2 112.637 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.91 -43.5 79.11 Favored 'General case' 0 C--O 1.201 -1.453 0 N-CA-C 108.11 -1.07 . . . . 73.11 108.11 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.4 mt -63.36 -31.87 73.14 Favored 'General case' 0 CA--C 1.564 1.501 0 O-C-N 121.071 -1.018 . . . . 62.44 110.8 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -60.36 -45.53 93.14 Favored 'General case' 0 C--O 1.201 -1.495 0 N-CA-C 104.905 -2.257 . . . . 64.54 104.905 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.81 -47.22 85.54 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-O 119.208 -0.425 . . . . 64.32 111.256 -178.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -62.83 -35.11 78.86 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 123.347 1.546 . . . . 64.33 113.731 -174.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.9 mm -88.01 -40.14 13.37 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.053 0 CA-C-N 114.157 -1.383 . . . . 73.31 111.445 -175.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 35.0 mt -81.76 -24.35 36.09 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 124.605 1.191 . . . . 64.35 110.183 -178.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.49 29.04 60.44 Favored Glycine 0 C--O 1.217 -0.951 0 C-N-CA 120.205 -0.998 . . . . 73.3 112.543 176.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.9 m -101.19 154.98 4.62 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.156 0 CA-C-O 122.015 0.912 . . . . 75.35 111.044 179.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -68.52 -32.15 71.9 Favored 'General case' 0 N--CA 1.512 2.627 0 N-CA-C 113.05 0.759 . . . . 61.34 113.05 -172.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -150.38 156.79 42.16 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 109.014 -0.736 . . . . 72.31 109.014 -175.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 42.9 t -140.0 126.28 22.25 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.203 0 O-C-N 125.516 1.76 . . . . 34.33 111.887 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -90.49 164.89 30.8 Favored Glycine 0 CA--C 1.537 1.413 0 N-CA-C 108.127 -1.989 . . . . 71.42 108.127 178.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.7 m -62.01 -25.21 36.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 O-C-N 121.947 -0.737 . . . . 51.34 111.705 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -110.42 18.93 19.31 Favored 'General case' 0 C--O 1.197 -1.674 0 N-CA-C 114.843 1.423 . . . . 74.44 114.843 -178.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.52 134.33 35.2 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 119.399 -0.92 . . . . 72.44 108.999 -177.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.71 127.88 33.84 Favored 'General case' 0 CA--C 1.554 1.108 0 O-C-N 121.194 -0.941 . . . . 62.31 112.009 -176.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -53.53 -45.26 69.73 Favored 'General case' 0 C--N 1.311 -1.069 0 O-C-N 120.519 -1.363 . . . . 53.31 112.755 178.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -73.74 -22.6 59.83 Favored 'General case' 0 C--O 1.208 -1.088 0 N-CA-C 112.667 0.617 . . . . 60.21 112.667 -177.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -75.85 -28.63 58.3 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 123.779 1.752 . . . . 72.2 108.362 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.3 mp -87.77 12.6 12.49 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 113.501 -1.681 . . . . 72.15 112.712 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.4 26.31 16.09 Favored Glycine 0 N--CA 1.48 1.569 0 CA-C-O 123.516 1.62 . . . . 72.14 113.722 178.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -77.18 167.9 54.42 Favored Glycine 0 C--O 1.246 0.875 0 O-C-N 120.626 -1.514 . . . . 65.31 114.758 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.0 t -152.22 162.57 40.95 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 112.68 -1.76 . . . . 44.22 109.159 177.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.74 -29.5 64.59 Favored 'General case' 0 C--O 1.251 1.154 0 N-CA-C 112.804 0.668 . . . . 61.41 112.804 176.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.29 -40.32 81.81 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-O 122.477 1.132 . . . . 74.31 109.542 172.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.1 tp -71.28 -31.57 67.63 Favored 'General case' 0 C--N 1.31 -1.136 0 O-C-N 121.619 -0.676 . . . . 75.11 111.196 -177.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.0 -25.06 63.32 Favored 'General case' 0 CA--C 1.559 1.307 0 N-CA-C 113.005 0.743 . . . . 64.15 113.005 176.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 65.7 mtt -64.68 -33.83 76.88 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 122.784 1.278 . . . . 71.31 108.439 -178.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -71.11 -39.06 72.29 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-N 114.302 -1.317 . . . . 73.35 110.262 -178.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 32.8 tp -61.6 -48.72 79.66 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-N 115.363 -0.835 . . . . 71.32 109.113 175.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.2 mt -58.36 -37.8 65.68 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.866 0 N-CA-C 113.396 0.888 . . . . 53.41 113.396 177.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.78 -38.02 79.73 Favored 'General case' 0 C--O 1.211 -0.951 0 C-N-CA 120.412 -0.515 . . . . 70.24 110.653 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -70.68 -33.76 71.26 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 121.15 -0.22 . . . . 73.23 110.964 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 55.5 mt -60.69 -29.56 45.2 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 O-C-N 124.003 0.815 . . . . 75.32 113.151 174.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.3 mtt180 -64.78 -29.89 70.88 Favored 'General case' 0 C--O 1.204 -1.333 0 C-N-CA 118.84 -1.144 . . . . 73.41 111.983 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -79.64 -35.06 39.9 Favored 'General case' 0 C--O 1.196 -1.733 0 N-CA-C 108.055 -1.091 . . . . 71.42 108.055 -178.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -87.42 -44.54 11.27 Favored 'General case' 0 C--O 1.204 -1.295 0 N-CA-C 117.066 2.247 . . . . 63.34 117.066 -174.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.5 mt -107.77 -4.27 18.28 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 108.731 -0.84 . . . . 54.23 108.731 -174.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 67.56 28.86 73.59 Favored Glycine 0 C--N 1.295 -1.724 0 CA-C-N 113.242 -1.799 . . . . 72.41 115.968 175.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.6 m -149.98 159.0 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 N-CA-C 108.095 -1.076 . . . . 63.13 108.095 -178.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -83.05 115.0 21.67 Favored 'General case' 0 C--N 1.308 -1.204 0 O-C-N 123.552 0.532 . . . . 73.25 110.129 169.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -64.0 124.84 86.5 Favored Pre-proline 0 C--N 1.323 -0.551 0 N-CA-C 113.489 0.922 . . . . 75.15 113.489 -178.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -66.94 123.8 11.44 Favored 'Trans proline' 0 N--CA 1.484 0.966 0 C-N-CA 115.253 -2.698 . . . . 73.24 113.245 177.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 11.9 tt -64.55 -19.79 25.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 113.0 0.741 . . . . 52.33 113.0 -175.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -65.55 -41.69 92.7 Favored 'General case' 0 C--N 1.306 -1.309 0 C-N-CA 120.353 -0.539 . . . . 70.51 109.982 178.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -67.19 -41.95 85.0 Favored 'General case' 0 CA--C 1.494 -1.203 0 CA-C-O 122.528 1.156 . . . . 64.13 110.598 -178.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.0 tp -60.53 -50.26 74.24 Favored 'General case' 0 C--O 1.211 -0.973 0 CA-C-N 114.327 -1.306 . . . . 73.15 109.602 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -68.71 -34.43 75.63 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 119.91 -1.744 . . . . 64.45 110.135 -175.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.0 m -70.93 -21.55 62.35 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 113.475 0.917 . . . . 61.41 113.475 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.8 m -145.93 80.32 10.5 Favored Pre-proline 0 N--CA 1.481 1.08 0 N-CA-C 109.305 -0.628 . . . . 54.43 109.305 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -76.07 30.64 0.39 Allowed 'Trans proline' 0 C--O 1.253 1.268 0 N-CA-C 118.175 2.337 . . . . 61.23 118.175 -173.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 60.5 p -117.28 153.37 49.97 Favored Pre-proline 0 C--O 1.205 -1.282 0 N-CA-C 105.617 -1.994 . . . . 72.3 105.617 176.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_endo -66.18 -33.69 39.17 Favored 'Trans proline' 0 CA--C 1.559 1.736 0 C-N-CA 116.354 -1.964 . . . . 64.22 114.697 -176.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -77.67 -25.19 49.36 Favored 'General case' 0 C--O 1.255 1.39 0 CA-C-O 122.454 1.121 . . . . 73.3 112.515 173.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.48 -45.23 91.03 Favored Glycine 0 C--O 1.219 -0.81 0 CA-C-N 113.024 -1.898 . . . . 70.53 109.16 176.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 70.8 t -58.19 -43.3 85.39 Favored 'Isoleucine or valine' 0 C--O 1.258 1.54 0 N-CA-C 108.926 -0.768 . . . . 70.53 108.926 178.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.82 -39.57 85.53 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.582 -0.735 . . . . 55.23 111.025 -175.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 28.3 mmm-85 -80.41 -41.37 24.68 Favored 'General case' 0 C--O 1.212 -0.913 0 CA-C-O 123.068 1.413 . . . . 74.22 110.465 -176.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.08 -39.9 87.67 Favored 'General case' 0 C--O 1.21 -1.014 0 CA-C-N 114.787 -1.097 . . . . 73.35 110.916 -177.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.5 pp -78.54 -27.86 46.0 Favored 'General case' 0 CA--C 1.549 0.935 0 O-C-N 119.601 -1.937 . . . . 72.21 109.441 177.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.82 -30.22 70.82 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 108.97 -0.752 . . . . 75.13 108.97 177.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.89 -20.81 64.15 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 115.062 -0.972 . . . . 72.42 111.552 175.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -77.93 -19.38 54.73 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.626 -0.879 . . . . 62.13 108.626 -179.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.5 t -100.31 -4.5 29.12 Favored 'General case' 0 N--CA 1.492 1.636 0 C-N-CA 123.82 0.848 . . . . 73.13 109.707 -178.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.54 147.15 53.69 Favored 'General case' 0 C--O 1.242 0.665 0 N-CA-C 107.036 -1.468 . . . . 70.12 107.036 174.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.2 m -59.21 -34.86 72.66 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 114.224 -1.353 . . . . 74.44 110.602 175.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 36.4 m95 -107.45 58.52 0.62 Allowed 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 114.456 -1.247 . . . . 71.34 109.224 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 82.8 p -70.55 165.26 23.09 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.341 -0.543 . . . . 74.1 109.86 176.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -73.78 150.52 88.56 Favored Pre-proline 0 CA--C 1.569 1.688 0 CA-C-O 121.79 0.805 . . . . 62.54 111.559 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -74.33 166.73 28.82 Favored 'Trans proline' 0 C--N 1.378 2.128 0 C-N-CA 116.508 -1.861 . . . . 74.33 115.342 -173.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 68.8 mt-30 -126.18 152.68 45.69 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 123.908 0.883 . . . . 74.54 108.775 176.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -82.62 149.54 27.35 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 117.935 0.334 . . . . 75.42 111.295 175.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -86.32 143.74 27.72 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.83 0.852 . . . . 73.23 109.504 178.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? . . . . . 0 C--N 1.315 -0.928 0 N-CA-C 102.609 -3.108 . . . . 75.52 102.609 -177.457 . . . . . . . . 0 0 . 1 stop_ save_